Isoxazoles

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

1 – 15 of 173 results

Isoxazole, 99%

CAS: 288-14-2 Molecular Formula: C₃H₃NO Molecular Weight (g/mol): 69.06 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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Specifications

PubChem CID	9254
CAS	288-14-2
Molecular Weight (g/mol)	69.06
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-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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Specifications

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

Sulfisoxazole, 99%, Thermo Scientific Chemicals

CAS: 127-69-5 Molecular Formula: C₁₁H₁₃N₃O₃S Molecular Weight (g/mol): 267.3 InChI Key: NHUHCSRWZMLRLA-UHFFFAOYSA-N Synonym: sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole PubChem CID: 5344 ChEBI: CHEBI:102484 IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N

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Specifications

PubChem CID	5344
CAS	127-69-5
Molecular Weight (g/mol)	267.3
ChEBI	CHEBI:102484
SMILES	CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym	sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole
IUPAC Name	4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
InChI Key	NHUHCSRWZMLRLA-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₃N₃O₃S

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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Specifications

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

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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Specifications

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-Methylisoxazole-4-carboxylic acid, 98+%, Thermo Scientific Chemicals

CAS: 17153-20-7 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318161 InChI Key: YBLSBWHFPXDRHC-UHFFFAOYSA-N Synonym: 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl PubChem CID: 4589692 IUPAC Name: 3-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=NOC=C1C(=O)O

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Specifications

PubChem CID	4589692
CAS	17153-20-7
Molecular Weight (g/mol)	127.099
MDL Number	MFCD01318161
SMILES	CC1=NOC=C1C(=O)O
Synonym	3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl
IUPAC Name	3-methyl-1,2-oxazole-4-carboxylic acid
InChI Key	YBLSBWHFPXDRHC-UHFFFAOYSA-N
Molecular Formula	C5H5NO3

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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Specifications

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

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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Specifications

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

3,5-Dimethylisoxazole-4-boronic acid, 97%

CAS: 16114-47-9 Molecular Formula: C5H8BNO3 Molecular Weight (g/mol): 140.933 MDL Number: MFCD02677945 InChI Key: DIIFZCPZIRQDIJ-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid PubChem CID: 2734346 IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid SMILES: B(C1=C(ON=C1C)C)(O)O

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Specifications

PubChem CID	2734346
CAS	16114-47-9
Molecular Weight (g/mol)	140.933
MDL Number	MFCD02677945
SMILES	B(C1=C(ON=C1C)C)(O)O
Synonym	3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid
IUPAC Name	(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
InChI Key	DIIFZCPZIRQDIJ-UHFFFAOYSA-N
Molecular Formula	C5H8BNO3

3-(Chloromethyl)-5-(2-furyl)isoxazole, ≥97%, Thermo Scientific™

CAS: 848658-70-8 Molecular Formula: C8H6ClNO2 Molecular Weight (g/mol): 183.591 MDL Number: MFCD07329988 InChI Key: IPIMDVOPXIOKAK-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-2-furyl isoxazole,3-chloromethyl-5-furan-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-furanyl,3-chloromethyl-5-furan-2-yl isoxazole PubChem CID: 4962799 IUPAC Name: 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole SMILES: C1=COC(=C1)C2=CC(=NO2)CCl

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Specifications

PubChem CID	4962799
CAS	848658-70-8
Molecular Weight (g/mol)	183.591
MDL Number	MFCD07329988
SMILES	C1=COC(=C1)C2=CC(=NO2)CCl
Synonym	3-chloromethyl-5-2-furyl isoxazole,3-chloromethyl-5-furan-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-furanyl,3-chloromethyl-5-furan-2-yl isoxazole
IUPAC Name	3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole
InChI Key	IPIMDVOPXIOKAK-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO2

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

CAS: 2039-50-1 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.084 MDL Number: MFCD00159724 InChI Key: ANRMBFFXQKJEIS-UHFFFAOYSA-N PubChem CID: 2748796 IUPAC Name: 5-(bromomethyl)-3-phenyl-1,2-oxazole SMILES: C1=CC=C(C=C1)C2=NOC(=C2)CBr

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Specifications

PubChem CID	2748796
CAS	2039-50-1
Molecular Weight (g/mol)	238.084
MDL Number	MFCD00159724
SMILES	C1=CC=C(C=C1)C2=NOC(=C2)CBr
IUPAC Name	5-(bromomethyl)-3-phenyl-1,2-oxazole
InChI Key	ANRMBFFXQKJEIS-UHFFFAOYSA-N
Molecular Formula	C10H8BrNO

Isoxazole-5-carbonyl chloride, TECH, Thermo Scientific™

CAS: 62348-13-4 Molecular Formula: C4H2ClNO2 Molecular Weight (g/mol): 131.52 MDL Number: MFCD00067868 InChI Key: NASLINFISOTVJJ-UHFFFAOYSA-N Synonym: isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci PubChem CID: 2736707 IUPAC Name: 1,2-oxazole-5-carbonyl chloride SMILES: ClC(=O)C1=CC=NO1

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Specifications

PubChem CID	2736707
CAS	62348-13-4
Molecular Weight (g/mol)	131.52
MDL Number	MFCD00067868
SMILES	ClC(=O)C1=CC=NO1
Synonym	isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci
IUPAC Name	1,2-oxazole-5-carbonyl chloride
InChI Key	NASLINFISOTVJJ-UHFFFAOYSA-N
Molecular Formula	C4H2ClNO2

Isoxazole-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

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Specifications

PubChem CID	2060599
CAS	21169-71-1
Molecular Weight (g/mol)	113.072
MDL Number	MFCD00156151
SMILES	C1=C(ON=C1)C(=O)O
Synonym	isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name	1,2-oxazole-5-carboxylic acid
InChI Key	MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula	C4H3NO3

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

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Specifications

PubChem CID	2776304
CAS	130628-75-0
Molecular Weight (g/mol)	176.01
MDL Number	MFCD02677720
SMILES	CC1=CC(CBr)=NO1
Synonym	3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name	3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key	ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula	C5H6BrNO

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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Specifications

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

Isoxazoles

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