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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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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

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
2

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

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
3

Sulfamethoxazole 98.0+%, TCI America™

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

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
4

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

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
5

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

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
6

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

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
7

(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

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
8

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

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
9

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

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
10
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Isoxazole-5-carboxylic acid, 98%

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

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
11
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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

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
12

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

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

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
13
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3-Ethyl-5-methylisoxazole-4-carboxylic acid, 97%

CAS: 17147-85-2 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.153 MDL Number: MFCD03422293 InChI Key: RSWFHHWVFZWIMV-UHFFFAOYSA-N Synonym: 3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci PubChem CID: 2063310 IUPAC Name: 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CCC1=NOC(=C1C(=O)O)C

PubChem CID 2063310
CAS 17147-85-2
Molecular Weight (g/mol) 155.153
MDL Number MFCD03422293
SMILES CCC1=NOC(=C1C(=O)O)C
Synonym 3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci
IUPAC Name 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key RSWFHHWVFZWIMV-UHFFFAOYSA-N
Molecular Formula C7H9NO3
14

Sulfamethoxazole, 100%, MP Biomedicals™

CAS: 723-46-6 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.276 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

PubChem CID 5329
CAS 723-46-6
Molecular Weight (g/mol) 253.276
ChEBI CHEBI:9332
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
15
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Ethyl 3-methylisoxazole-4-carboxylate, 97%

CAS: 20328-15-8 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.153 MDL Number: MFCD01075736 InChI Key: AEWHICNMVQOWJE-UHFFFAOYSA-N Synonym: ethyl 3-methylisoxazole-4-carboxylate,ethyl 3-methyl-isoxazole-4-carboxylate,4-isoxazolecarboxylic acid, 3-methyl-, ethyl ester,acmc-20akze,ethyl 3-methyl-4-isoxazolecarboxylate,3-methyl-4-isoxazolecarboxylic acid ethyl ester,3-methyl-isoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylicacid, 3-methyl-, ethyl ester,3-methyl-4-isoxazolecarboxylic acid, ethyl ester,3-methylisoxazole-4-carboxylic acid ethyl ester PubChem CID: 317668 IUPAC Name: ethyl 3-methyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=CON=C1C

PubChem CID 317668
CAS 20328-15-8
Molecular Weight (g/mol) 155.153
MDL Number MFCD01075736
SMILES CCOC(=O)C1=CON=C1C
Synonym ethyl 3-methylisoxazole-4-carboxylate,ethyl 3-methyl-isoxazole-4-carboxylate,4-isoxazolecarboxylic acid, 3-methyl-, ethyl ester,acmc-20akze,ethyl 3-methyl-4-isoxazolecarboxylate,3-methyl-4-isoxazolecarboxylic acid ethyl ester,3-methyl-isoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylicacid, 3-methyl-, ethyl ester,3-methyl-4-isoxazolecarboxylic acid, ethyl ester,3-methylisoxazole-4-carboxylic acid ethyl ester
IUPAC Name ethyl 3-methyl-1,2-oxazole-4-carboxylate
InChI Key AEWHICNMVQOWJE-UHFFFAOYSA-N
Molecular Formula C7H9NO3