Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.

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1 – 15 of 192 results

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3,5-Dimethylisoxazole, 99%

CAS: 300-87-8 Molecular Formula: C5H7NO Molecular Weight (g/mol): 97.117 MDL Number: MFCD00003156 InChI Key: FICAQKBMCKEFDI-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole PubChem CID: 9312 IUPAC Name: 3,5-dimethyl-1,2-oxazole SMILES: CC1=CC(=NO1)C

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PubChem CID	9312
CAS	300-87-8
Molecular Weight (g/mol)	97.117
MDL Number	MFCD00003156
SMILES	CC1=CC(=NO1)C
Synonym	3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole
IUPAC Name	3,5-dimethyl-1,2-oxazole
InChI Key	FICAQKBMCKEFDI-UHFFFAOYSA-N
Molecular Formula	C5H7NO

3-Hydroxy-5-methylisoxazole, 97%

CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1

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PubChem CID	24781
CAS	10004-44-1
Molecular Weight (g/mol)	99.089
ChEBI	CHEBI:5827
MDL Number	MFCD00144468
SMILES	CC1=CC(=O)NO1
Synonym	hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
IUPAC Name	5-methyl-1,2-oxazol-3-one
InChI Key	KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula	C4H5NO2

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5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%

CAS: 1136-45-4 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 MDL Number: MFCD00003153 InChI Key: PENHKTNQUJMHIR-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid PubChem CID: 14343 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O

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PubChem CID	14343
CAS	1136-45-4
Molecular Weight (g/mol)	203.197
MDL Number	MFCD00003153
SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
Synonym	5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid
IUPAC Name	5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
InChI Key	PENHKTNQUJMHIR-UHFFFAOYSA-N
Molecular Formula	C11H9NO3

5-Methylisoxazole-4-carboxylic Acid 98.0+%, TCI America™

CAS: 42831-50-5 Molecular Formula: C5H4NO3 Molecular Weight (g/mol): 126.09 MDL Number: MFCD00955655 InChI Key: VQBXUKGMJCPBMF-UHFFFAOYSA-M Synonym: 5-methylisoxazole-4-carboxylic acid,5-methyl-4-isoxazolecarboxylic acid,unii-bl2q213q2m,4-isoxazolecarboxylic acid, 5-methyl,5-methylisoxazole-4-carboxylicacid,leflunomide impurity d ep,pubchem8652,leflunomide impurity d,acmc-209jr8,ksc235o3b PubChem CID: 1425240 IUPAC Name: 5-methyl-1,2-oxazole-4-carboxylate SMILES: CC1=C(C=NO1)C([O-])=O

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PubChem CID	1425240
CAS	42831-50-5
Molecular Weight (g/mol)	126.09
MDL Number	MFCD00955655
SMILES	CC1=C(C=NO1)C([O-])=O
Synonym	5-methylisoxazole-4-carboxylic acid,5-methyl-4-isoxazolecarboxylic acid,unii-bl2q213q2m,4-isoxazolecarboxylic acid, 5-methyl,5-methylisoxazole-4-carboxylicacid,leflunomide impurity d ep,pubchem8652,leflunomide impurity d,acmc-209jr8,ksc235o3b
IUPAC Name	5-methyl-1,2-oxazole-4-carboxylate
InChI Key	VQBXUKGMJCPBMF-UHFFFAOYSA-M
Molecular Formula	C5H4NO3

3-Methylisoxazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 4857-42-5 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD00464222 InChI Key: HXIYCKAAQPHZBM-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 PubChem CID: 853085 IUPAC Name: 3-methyl-1,2-oxazole-5-carboxylic acid SMILES: CC1=NOC(=C1)C(=O)O

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PubChem CID	853085
CAS	4857-42-5
Molecular Weight (g/mol)	127.099
MDL Number	MFCD00464222
SMILES	CC1=NOC(=C1)C(=O)O
Synonym	3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519
IUPAC Name	3-methyl-1,2-oxazole-5-carboxylic acid
InChI Key	HXIYCKAAQPHZBM-UHFFFAOYSA-N
Molecular Formula	C5H5NO3

(5-Methylisoxazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 35166-33-7 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00085129 InChI Key: MDYHWQQHEWDJKR-UHFFFAOYSA-N Synonym: 5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl PubChem CID: 2736567 IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methanol SMILES: CC1=CC(CO)=NO1

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PubChem CID	2736567
CAS	35166-33-7
Molecular Weight (g/mol)	113.12
MDL Number	MFCD00085129
SMILES	CC1=CC(CO)=NO1
Synonym	5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl
IUPAC Name	(5-methyl-1,2-oxazol-3-yl)methanol
InChI Key	MDYHWQQHEWDJKR-UHFFFAOYSA-N
Molecular Formula	C5H7NO2

Sulfamethoxazole, 98%

CAS: 723-46-6 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.276 MDL Number: MFCD00010546 InChI Key: JLKIGFTWXXRPMT-UHFFFAOYSA-N Synonym: sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin PubChem CID: 5329 ChEBI: CHEBI:9332 IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

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PubChem CID	5329
CAS	723-46-6
Molecular Weight (g/mol)	253.276
ChEBI	CHEBI:9332
MDL Number	MFCD00010546
SMILES	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym	sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin
IUPAC Name	4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
InChI Key	JLKIGFTWXXRPMT-UHFFFAOYSA-N
Molecular Formula	C10H11N3O3S

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Isoxazole, 99%

CAS: 288-14-2 Molecular Formula: C3H3NO Molecular Weight (g/mol): 69.063 MDL Number: MFCD00003149 InChI Key: CTAPFRYPJLPFDF-UHFFFAOYSA-N Synonym: isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n PubChem CID: 9254 ChEBI: CHEBI:35595 IUPAC Name: 1,2-oxazole SMILES: C1=CON=C1

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PubChem CID	9254
CAS	288-14-2
Molecular Weight (g/mol)	69.063
ChEBI	CHEBI:35595
MDL Number	MFCD00003149
SMILES	C1=CON=C1
Synonym	isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n
IUPAC Name	1,2-oxazole
InChI Key	CTAPFRYPJLPFDF-UHFFFAOYSA-N
Molecular Formula	C3H3NO

3-(Chloromethyl)-5-thien-2-ylisoxazole, ≥97%, Thermo Scientific™

CAS: 863669-57-2 Molecular Formula: C8H6ClNOS Molecular Weight (g/mol): 199.65 MDL Number: MFCD07339176 InChI Key: RKWOCISPZAHSCF-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-thien-2-ylisoxazole,3-chloromethyl-5-thiophen-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-thienyl,2-3-chloromethyl isoxazol-5-yl thiophene,3-chloromethyl-5-thiophen-2-yl isoxazole PubChem CID: 7130599 IUPAC Name: 3-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole SMILES: ClCC1=NOC(=C1)C1=CC=CS1

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PubChem CID	7130599
CAS	863669-57-2
Molecular Weight (g/mol)	199.65
MDL Number	MFCD07339176
SMILES	ClCC1=NOC(=C1)C1=CC=CS1
Synonym	3-chloromethyl-5-thien-2-ylisoxazole,3-chloromethyl-5-thiophen-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-thienyl,2-3-chloromethyl isoxazol-5-yl thiophene,3-chloromethyl-5-thiophen-2-yl isoxazole
IUPAC Name	3-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole
InChI Key	RKWOCISPZAHSCF-UHFFFAOYSA-N
Molecular Formula	C8H6ClNOS

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 3919-76-4 Molecular Formula: C11H7Cl2NO3 Molecular Weight (g/mol): 272.08 MDL Number: MFCD00051658 InChI Key: WQXUUMUOERZZAE-UHFFFAOYSA-N Synonym: 3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2',6'-dichlorophenyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,3-2,6-dichlorophenyl-5-methyl-4-isoxazolecarboxylic acid,pubchem8684,dicloxacillin impurity d,acmc-1cmb3,pyridinium hydroxy propyl sulphobetaine; pps-oh,3-2,6-dichlorophenyl-5-methylisoxazol-4-carboxylic acid PubChem CID: 77521 IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl

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PubChem CID	77521
CAS	3919-76-4
Molecular Weight (g/mol)	272.08
MDL Number	MFCD00051658
SMILES	CC1=C(C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl
Synonym	3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2',6'-dichlorophenyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,3-2,6-dichlorophenyl-5-methyl-4-isoxazolecarboxylic acid,pubchem8684,dicloxacillin impurity d,acmc-1cmb3,pyridinium hydroxy propyl sulphobetaine; pps-oh,3-2,6-dichlorophenyl-5-methylisoxazol-4-carboxylic acid
IUPAC Name	3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key	WQXUUMUOERZZAE-UHFFFAOYSA-N
Molecular Formula	C11H7Cl2NO3

4-(Bromomethyl)-3-methyl-5-phenylisoxazole, ≥95%, Thermo Scientific™

CAS: 113841-59-1 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.111 MDL Number: MFCD03086124 InChI Key: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC Name: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2

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PubChem CID	2776518
CAS	113841-59-1
Molecular Weight (g/mol)	252.111
MDL Number	MFCD03086124
SMILES	CC1=NOC(=C1CBr)C2=CC=CC=C2
IUPAC Name	4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
InChI Key	KCGVZUOBUPWFJC-UHFFFAOYSA-N
Molecular Formula	C11H10BrNO

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5-Methylisoxazole-3-carbonyl chloride, 98%, Thermo Scientific Chemicals

CAS: 39499-34-8 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.54 MDL Number: MFCD00085127 InChI Key: XMVNMWDLOGSUSM-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carbonyl chloride,3-isoxazolecarbonyl chloride, 5-methyl,5-methyl-3-isoxazolecarbonyl chloride,5-methyl-isoxazole-3-carbonyl chloride,acmc-209j5v,5-methyl-3-isoxazoyl chloride,5-methylisoxazole carbonyl chloride,5-methylisoxazol-3-ylcarbonyl chloride,3-isoxazolecarbonylchloride, 5-methyl,5-methyl isoxazole-3-carbonyl chloride PubChem CID: 2736894 IUPAC Name: 5-methyl-1,2-oxazole-3-carbonyl chloride SMILES: CC1=CC(=NO1)C(Cl)=O

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PubChem CID	2736894
CAS	39499-34-8
Molecular Weight (g/mol)	145.54
MDL Number	MFCD00085127
SMILES	CC1=CC(=NO1)C(Cl)=O
Synonym	5-methylisoxazole-3-carbonyl chloride,3-isoxazolecarbonyl chloride, 5-methyl,5-methyl-3-isoxazolecarbonyl chloride,5-methyl-isoxazole-3-carbonyl chloride,acmc-209j5v,5-methyl-3-isoxazoyl chloride,5-methylisoxazole carbonyl chloride,5-methylisoxazol-3-ylcarbonyl chloride,3-isoxazolecarbonylchloride, 5-methyl,5-methyl isoxazole-3-carbonyl chloride
IUPAC Name	5-methyl-1,2-oxazole-3-carbonyl chloride
InChI Key	XMVNMWDLOGSUSM-UHFFFAOYSA-N
Molecular Formula	C5H4ClNO2

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3,5-Dimethylisoxazole-4-carboxylic acid, 99%

CAS: 2510-36-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD00051657 InChI Key: IJEUISLJVBUNRE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555 PubChem CID: 75636 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C)C(=O)O

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PubChem CID	75636
CAS	2510-36-3
Molecular Weight (g/mol)	141.126
MDL Number	MFCD00051657
SMILES	CC1=C(C(=NO1)C)C(=O)O
Synonym	3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555
IUPAC Name	3,5-dimethyl-1,2-oxazole-4-carboxylic acid
InChI Key	IJEUISLJVBUNRE-UHFFFAOYSA-N
Molecular Formula	C6H7NO3

3-(Chloromethyl)-5-phenylisoxazole, ≥97%, Thermo Scientific™

CAS: 14731-10-3 Molecular Formula: C10H8ClNO Molecular Weight (g/mol): 193.63 MDL Number: MFCD01444154 InChI Key: MLJJRVMANUGETQ-UHFFFAOYSA-N PubChem CID: 1484769 IUPAC Name: 3-(chloromethyl)-5-phenyl-1,2-oxazole SMILES: ClCC1=NOC(=C1)C1=CC=CC=C1

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Specifications

PubChem CID	1484769
CAS	14731-10-3
Molecular Weight (g/mol)	193.63
MDL Number	MFCD01444154
SMILES	ClCC1=NOC(=C1)C1=CC=CC=C1
IUPAC Name	3-(chloromethyl)-5-phenyl-1,2-oxazole
InChI Key	MLJJRVMANUGETQ-UHFFFAOYSA-N
Molecular Formula	C10H8ClNO

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

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Specifications

PubChem CID	2776147
CAS	180597-83-5
Molecular Weight (g/mol)	252.11
MDL Number	MFCD02677680
SMILES	CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name	4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key	UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula	C11H10BrNO

Isoxazoles

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