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 161 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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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

Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate, 90%, Thermo Scientific™

CAS: 123770-62-7 Molecular Formula: C7H9NO4 Molecular Weight (g/mol): 171.152 MDL Number: MFCD08273501 InChI Key: ZWVVVEYXDQMHGQ-UHFFFAOYSA-N Synonym: ethyl 5-hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-1,2-oxazole-3-carboxylate,5-hydroxymethylisoxazole-3-carboxylic acid ethyl ester,3-isoxazolecarboxylicacid, 5-hydroxymethyl-, ethyl ester,3-isoxazolecarboxylic acid, 5-hydroxymethyl-, ethyl ester,acmc-1c7ap,ethyl 5-hydroxymethylisoxazole-3-carboxylate,ethyl 5 hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-isoxazole-3-carboxylate PubChem CID: 8027233 IUPAC Name: ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate SMILES: CCOC(=O)C1=NOC(=C1)CO

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Specifications

PubChem CID	8027233
CAS	123770-62-7
Molecular Weight (g/mol)	171.152
MDL Number	MFCD08273501
SMILES	CCOC(=O)C1=NOC(=C1)CO
Synonym	ethyl 5-hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-1,2-oxazole-3-carboxylate,5-hydroxymethylisoxazole-3-carboxylic acid ethyl ester,3-isoxazolecarboxylicacid, 5-hydroxymethyl-, ethyl ester,3-isoxazolecarboxylic acid, 5-hydroxymethyl-, ethyl ester,acmc-1c7ap,ethyl 5-hydroxymethylisoxazole-3-carboxylate,ethyl 5 hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-isoxazole-3-carboxylate
IUPAC Name	ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
InChI Key	ZWVVVEYXDQMHGQ-UHFFFAOYSA-N
Molecular Formula	C7H9NO4

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

5-Methyl-3-isoxazolecarbonitrile, 97%, Thermo Scientific™

CAS: 57351-99-2 Molecular Formula: C5H4N2O Molecular Weight (g/mol): 108.10 MDL Number: MFCD09064940 InChI Key: JTPIMYCMWLOEDD-UHFFFAOYSA-N PubChem CID: 24229456 IUPAC Name: 5-methyl-1,2-oxazole-3-carbonitrile SMILES: CC1=CC(=NO1)C#N

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Specifications

PubChem CID	24229456
CAS	57351-99-2
Molecular Weight (g/mol)	108.10
MDL Number	MFCD09064940
SMILES	CC1=CC(=NO1)C#N
IUPAC Name	5-methyl-1,2-oxazole-3-carbonitrile
InChI Key	JTPIMYCMWLOEDD-UHFFFAOYSA-N
Molecular Formula	C5H4N2O

Methyle5-methyl-3-isoxazolecarboxylate, 97%, Thermo Scientific™

CAS: 19788-35-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00015895 InChI Key: MVHHQOCEOUNTID-UHFFFAOYSA-N Synonym: methyl 5-methylisoxazole-3-carboxylate,methyl 5-methyl-3-isoxazolecarboxylate,3-isoxazolecarboxylic acid, 5-methyl-, methyl ester,5-methyl-3-isoxazolecarboxylic acid methyl ester,methyl 5-methyl-3-isoxazole carboxylate,methyl-5-methyl-3-isoxazole carboxylate,5-methylisoxazole-3-carboxylic acid methyl ester,5-methyl-isoxazole-3-carboxylic acid methyl ester,acmc-209xf5,ksc489s1r PubChem CID: 88245 IUPAC Name: methyl 5-methyl-1,2-oxazole-3-carboxylate SMILES: COC(=O)C1=NOC(C)=C1

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Specifications

PubChem CID	88245
CAS	19788-35-3
Molecular Weight (g/mol)	141.13
MDL Number	MFCD00015895
SMILES	COC(=O)C1=NOC(C)=C1
Synonym	methyl 5-methylisoxazole-3-carboxylate,methyl 5-methyl-3-isoxazolecarboxylate,3-isoxazolecarboxylic acid, 5-methyl-, methyl ester,5-methyl-3-isoxazolecarboxylic acid methyl ester,methyl 5-methyl-3-isoxazole carboxylate,methyl-5-methyl-3-isoxazole carboxylate,5-methylisoxazole-3-carboxylic acid methyl ester,5-methyl-isoxazole-3-carboxylic acid methyl ester,acmc-209xf5,ksc489s1r
IUPAC Name	methyl 5-methyl-1,2-oxazole-3-carboxylate
InChI Key	MVHHQOCEOUNTID-UHFFFAOYSA-N
Molecular Formula	C6H7NO3

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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Specifications

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

3-Methyl-5-phenyl-4-isoxazolecarboxylic acid, 97%, Thermo Scientific™

CAS: 17153-21-8 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 InChI Key: GLNQCTGGLIXRRJ-UHFFFAOYSA-N Synonym: 3-methyl-5-phenylisoxazole-4-carboxylic acid,3-methyl-5-phenyl-4-isoxazolecarboxylic acid,4-carboxy-3-methylisoxazol-5-yl benzene,3-methyl-5-phenyl-4-isoxazole carboxylic acid,3-methyl-5-phenyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-methyl-5-phenyl,4-isoxazolecarboxylic acid, 3-methyl-5-phenyl PubChem CID: 2776514 IUPAC Name: 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=NOC(=C1C(=O)O)C2=CC=CC=C2

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Specifications

PubChem CID	2776514
CAS	17153-21-8
Molecular Weight (g/mol)	203.197
SMILES	CC1=NOC(=C1C(=O)O)C2=CC=CC=C2
Synonym	3-methyl-5-phenylisoxazole-4-carboxylic acid,3-methyl-5-phenyl-4-isoxazolecarboxylic acid,4-carboxy-3-methylisoxazol-5-yl benzene,3-methyl-5-phenyl-4-isoxazole carboxylic acid,3-methyl-5-phenyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-methyl-5-phenyl,4-isoxazolecarboxylic acid, 3-methyl-5-phenyl
IUPAC Name	3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid
InChI Key	GLNQCTGGLIXRRJ-UHFFFAOYSA-N
Molecular Formula	C11H9NO3

5-Methyl-4-isoxazolecarbonyl chloride, 97%, Thermo Scientific™

CAS: 67305-24-2 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.542 InChI Key: ZKAQPVQEYCFRTK-UHFFFAOYSA-N Synonym: 5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl PubChem CID: 2759917 IUPAC Name: 5-methyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C=NO1)C(=O)Cl

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Specifications

PubChem CID	2759917
CAS	67305-24-2
Molecular Weight (g/mol)	145.542
SMILES	CC1=C(C=NO1)C(=O)Cl
Synonym	5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl
IUPAC Name	5-methyl-1,2-oxazole-4-carbonyl chloride
InChI Key	ZKAQPVQEYCFRTK-UHFFFAOYSA-N
Molecular Formula	C5H4ClNO2

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

CAS: 14716-89-3 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD09859210 InChI Key: OFSDWHRZVRCPBR-UHFFFAOYSA-N Synonym: 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole PubChem CID: 10820493 IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanol SMILES: CC1=NOC(=C1)CO

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Specifications

PubChem CID	10820493
CAS	14716-89-3
Molecular Weight (g/mol)	113.116
MDL Number	MFCD09859210
SMILES	CC1=NOC(=C1)CO
Synonym	3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole
IUPAC Name	(3-methyl-1,2-oxazol-5-yl)methanol
InChI Key	OFSDWHRZVRCPBR-UHFFFAOYSA-N
Molecular Formula	C5H7NO2

[5-(2-Furyl)isoxazol-3-yl]methanol, ≥97%, Thermo Scientific™

CAS: 852180-63-3 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD07772820 InChI Key: NBBDGNIUCJFJPO-UHFFFAOYSA-N Synonym: 5-2-furyl isoxazol-3-yl methanol,5-furan-2-yl-1,2-oxazol-3-yl methanol,5-furan-2-yl isoxazol-3-yl methanol,5-2-furyl isoxazol-3-yl methan-1-ol,5-2-furanyl-3-isoxazolylmethanol,5-2-furyl-3-isoxazolyl methanol,5-furan-2-yl-isoxazol-3-yl-methanol PubChem CID: 7164591 IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methanol SMILES: C1=COC(=C1)C2=CC(=NO2)CO

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Specifications

PubChem CID	7164591
CAS	852180-63-3
Molecular Weight (g/mol)	165.148
MDL Number	MFCD07772820
SMILES	C1=COC(=C1)C2=CC(=NO2)CO
Synonym	5-2-furyl isoxazol-3-yl methanol,5-furan-2-yl-1,2-oxazol-3-yl methanol,5-furan-2-yl isoxazol-3-yl methanol,5-2-furyl isoxazol-3-yl methan-1-ol,5-2-furanyl-3-isoxazolylmethanol,5-2-furyl-3-isoxazolyl methanol,5-furan-2-yl-isoxazol-3-yl-methanol
IUPAC Name	[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol
InChI Key	NBBDGNIUCJFJPO-UHFFFAOYSA-N
Molecular Formula	C8H7NO3

Methyl 5-methylisoxazole-3-carboxylate, 97%

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Specifications

PubChem CID	88245
CAS	19788-35-3
Molecular Weight (g/mol)	141.13
MDL Number	MFCD00015895
SMILES	COC(=O)C1=NOC(C)=C1
Synonym	methyl 5-methylisoxazole-3-carboxylate,methyl 5-methyl-3-isoxazolecarboxylate,3-isoxazolecarboxylic acid, 5-methyl-, methyl ester,5-methyl-3-isoxazolecarboxylic acid methyl ester,methyl 5-methyl-3-isoxazole carboxylate,methyl-5-methyl-3-isoxazole carboxylate,5-methylisoxazole-3-carboxylic acid methyl ester,5-methyl-isoxazole-3-carboxylic acid methyl ester,acmc-209xf5,ksc489s1r
IUPAC Name	methyl 5-methyl-1,2-oxazole-3-carboxylate
InChI Key	MVHHQOCEOUNTID-UHFFFAOYSA-N
Molecular Formula	C6H7NO3

5-Methylisoxazole-3-carboxylic acid, 98+%

CAS: 3405-77-4 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318162 InChI Key: BNMPIJWVMVNSRD-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid SMILES: CC1=CC(=NO1)C(=O)O

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Specifications

PubChem CID	76947
CAS	3405-77-4
Molecular Weight (g/mol)	127.099
MDL Number	MFCD01318162
SMILES	CC1=CC(=NO1)C(=O)O
Synonym	5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
IUPAC Name	5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key	BNMPIJWVMVNSRD-UHFFFAOYSA-N
Molecular Formula	C5H5NO3

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