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Benzoxazoles

Organic heterocyclic compounds that consist of benzene fused with an oxazoles; oxazoles are azoles with an oxygen atom and a nitrogen atom separated by one carbon.
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1

Sigma Aldrich 1-Fluoro-3-nitrobenzene

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CAS 402-67-5
2

2-Methyl-1,3-benzoxazol-4-amine, 97%, Thermo Scientific™

CAS: 342897-54-5 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.165 InChI Key: OEULNBJKLTXMSN-UHFFFAOYSA-N Synonym: 2-methylbenzo d oxazol-4-amine,4-amino-2-methyl-1,3-benzoxazole,methylbenzoxazolamine,2-methyl-4-benzoxazolamine,2-methylbenzoxazol-4-amine,2-methyl-4-aminobenzoxazole,2-methylbenzoxazole-4-amine,4-amino-2-methylbenzoxazole,2-methylbenzoxazole-4-ylamine,4-benzoxazolamine, 2-methyl PubChem CID: 10606897 IUPAC Name: 2-methyl-1,3-benzoxazol-4-amine SMILES: CC1=NC2=C(C=CC=C2O1)N

PubChem CID 10606897
CAS 342897-54-5
Molecular Weight (g/mol) 148.165
SMILES CC1=NC2=C(C=CC=C2O1)N
Synonym 2-methylbenzo d oxazol-4-amine,4-amino-2-methyl-1,3-benzoxazole,methylbenzoxazolamine,2-methyl-4-benzoxazolamine,2-methylbenzoxazol-4-amine,2-methyl-4-aminobenzoxazole,2-methylbenzoxazole-4-amine,4-amino-2-methylbenzoxazole,2-methylbenzoxazole-4-ylamine,4-benzoxazolamine, 2-methyl
IUPAC Name 2-methyl-1,3-benzoxazol-4-amine
InChI Key OEULNBJKLTXMSN-UHFFFAOYSA-N
Molecular Formula C8H8N2O
3

6-bromo-1,3-benzoxazol-2(3h)-one, 97%, Thermo Scientific™

CAS: 19932-85-5 Molecular Formula: C7H4BrNO2 Molecular Weight (g/mol): 214.02 MDL Number: MFCD00694727 InChI Key: DDNKJFBQMQOIKI-UHFFFAOYSA-N Synonym: 6-bromobenzo d oxazol-2 3h-one,6-bromo-2-benzoxazolinone,6-bromo-1,3-benzoxazol-2 3h-one,2-benzoxazolinone, 6-bromo,6-bromobenzoxazolinone,2 3h-benzoxazolone, 6-bromo,6-bromo-2 3h-benzoxazolone,cincreasin,6-bromo-2,3-dihydro-1,3-benzoxazol-2-one,6-bromobenzoxazol-2 3h-one PubChem CID: 29859 ChEBI: CHEBI:77861 IUPAC Name: 6-bromo-3H-1,3-benzoxazol-2-one SMILES: BrC1=CC=C2NC(=O)OC2=C1

PubChem CID 29859
CAS 19932-85-5
Molecular Weight (g/mol) 214.02
ChEBI CHEBI:77861
MDL Number MFCD00694727
SMILES BrC1=CC=C2NC(=O)OC2=C1
Synonym 6-bromobenzo d oxazol-2 3h-one,6-bromo-2-benzoxazolinone,6-bromo-1,3-benzoxazol-2 3h-one,2-benzoxazolinone, 6-bromo,6-bromobenzoxazolinone,2 3h-benzoxazolone, 6-bromo,6-bromo-2 3h-benzoxazolone,cincreasin,6-bromo-2,3-dihydro-1,3-benzoxazol-2-one,6-bromobenzoxazol-2 3h-one
IUPAC Name 6-bromo-3H-1,3-benzoxazol-2-one
InChI Key DDNKJFBQMQOIKI-UHFFFAOYSA-N
Molecular Formula C7H4BrNO2
4

Sigma Aldrich 6-(Piperidin-1-yl)pyridin-3-ylboronic acid

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5

5-Fluorobenzoxazole, 97%, Thermo Scientific™

CAS: 221347-71-3 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.11 InChI Key: ZRMPAEOUOPNNPZ-UHFFFAOYSA-N Synonym: 5-fluorobenzoxazole,5-fluorobenzo d oxazole,benzoxazole, 5-fluoro,benzoxazole,5-fluoro,pubchem21888,5-fluoranyl-1,3-benzoxazole,benzoxazole, 5-fluoro-9ci PubChem CID: 19937167 IUPAC Name: 5-fluoro-1,3-benzoxazole SMILES: C1=CC2=C(C=C1F)N=CO2

PubChem CID 19937167
CAS 221347-71-3
Molecular Weight (g/mol) 137.11
SMILES C1=CC2=C(C=C1F)N=CO2
Synonym 5-fluorobenzoxazole,5-fluorobenzo d oxazole,benzoxazole, 5-fluoro,benzoxazole,5-fluoro,pubchem21888,5-fluoranyl-1,3-benzoxazole,benzoxazole, 5-fluoro-9ci
IUPAC Name 5-fluoro-1,3-benzoxazole
InChI Key ZRMPAEOUOPNNPZ-UHFFFAOYSA-N
Molecular Formula C7H4FNO
6

Sigma Aldrich (S)-N-(1-(Dimethylamino)-3-Phenylpropan-2-Yl)Acetamide

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7

Methyl 2-methyl-1,3-benzoxazole-5-carboxylate, 97%

CAS: 136663-21-3 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD07774245 InChI Key: UFLDNRAXHGPDOD-UHFFFAOYSA-N Synonym: methyl 2-methylbenzo d oxazole-5-carboxylate,5-benzoxazolecarboxylicacid, 2-methyl-, methyl ester,acmc-1c498,methyl2-methyl-1,3-benzoxazole-5-carboxylate,methyl 2-methylbenzoxazole-5-carboxylate,5-methoxycarbonyl-2-methyl-1,3-benzoxazole,methyl 2-methyl-1?3-benzoxazole-5-carboxylate,2-methylbenzoxazole-5-carboxylic acid methyl ester,5-benzoxazolecarboxylicacid,2-methyl-,methyl ester,5-benzoxazolecarboxylic acid, 2-methyl-, methyl ester PubChem CID: 12157466 IUPAC Name: methyl 2-methyl-1,3-benzoxazole-5-carboxylate SMILES: CC1=NC2=C(O1)C=CC(=C2)C(=O)OC

PubChem CID 12157466
CAS 136663-21-3
Molecular Weight (g/mol) 191.19
MDL Number MFCD07774245
SMILES CC1=NC2=C(O1)C=CC(=C2)C(=O)OC
Synonym methyl 2-methylbenzo d oxazole-5-carboxylate,5-benzoxazolecarboxylicacid, 2-methyl-, methyl ester,acmc-1c498,methyl2-methyl-1,3-benzoxazole-5-carboxylate,methyl 2-methylbenzoxazole-5-carboxylate,5-methoxycarbonyl-2-methyl-1,3-benzoxazole,methyl 2-methyl-1?3-benzoxazole-5-carboxylate,2-methylbenzoxazole-5-carboxylic acid methyl ester,5-benzoxazolecarboxylicacid,2-methyl-,methyl ester,5-benzoxazolecarboxylic acid, 2-methyl-, methyl ester
IUPAC Name methyl 2-methyl-1,3-benzoxazole-5-carboxylate
InChI Key UFLDNRAXHGPDOD-UHFFFAOYSA-N
Molecular Formula C10H9NO3
8

2-Amino-5-chlorobenzoxazole, 97%

CAS: 61-80-3 Molecular Formula: C7H5ClN2O Molecular Weight (g/mol): 168.58 MDL Number: MFCD00005770 InChI Key: YGCODSQDUUUKIV-UHFFFAOYSA-N Synonym: zoxazolamine,2-amino-5-chlorobenzoxazole,5-chlorobenzo d oxazol-2-amine,flexin,2-benzoxazolamine, 5-chloro,contrazole,deflexol,flexilon,zoxamin,zoxine PubChem CID: 6103 ChEBI: CHEBI:35053 IUPAC Name: 5-chloro-1,3-benzoxazol-2-amine SMILES: NC1=NC2=CC(Cl)=CC=C2O1

PubChem CID 6103
CAS 61-80-3
Molecular Weight (g/mol) 168.58
ChEBI CHEBI:35053
MDL Number MFCD00005770
SMILES NC1=NC2=CC(Cl)=CC=C2O1
Synonym zoxazolamine,2-amino-5-chlorobenzoxazole,5-chlorobenzo d oxazol-2-amine,flexin,2-benzoxazolamine, 5-chloro,contrazole,deflexol,flexilon,zoxamin,zoxine
IUPAC Name 5-chloro-1,3-benzoxazol-2-amine
InChI Key YGCODSQDUUUKIV-UHFFFAOYSA-N
Molecular Formula C7H5ClN2O
9

5-Amino-2-methyl-1,3-benzoxazole, 97%

CAS: 72745-76-7 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.17 MDL Number: MFCD00628970 InChI Key: FECYTFWPNCBIHC-UHFFFAOYSA-N Synonym: 2-methylbenzo d oxazol-5-amine,2-methyl-5-aminobenzoxazole,5-amino-2-methylbenzoxazole,5-benzoxazolamine,2-methyl,2-methylbenzoxazole-5-ylamine,2-methyl-benzoxazol-5-ylamine,5-benzoxazolamine, 2-methyl,2-methyl-benzooxazol-5-ylamine,2-methylbenzoxazol-5-yl amine,5-amino-2-methyl-1,3-benzoxazole PubChem CID: 737920 IUPAC Name: 2-methyl-1,3-benzoxazol-5-amine SMILES: CC1=NC2=CC(N)=CC=C2O1

PubChem CID 737920
CAS 72745-76-7
Molecular Weight (g/mol) 148.17
MDL Number MFCD00628970
SMILES CC1=NC2=CC(N)=CC=C2O1
Synonym 2-methylbenzo d oxazol-5-amine,2-methyl-5-aminobenzoxazole,5-amino-2-methylbenzoxazole,5-benzoxazolamine,2-methyl,2-methylbenzoxazole-5-ylamine,2-methyl-benzoxazol-5-ylamine,5-benzoxazolamine, 2-methyl,2-methyl-benzooxazol-5-ylamine,2-methylbenzoxazol-5-yl amine,5-amino-2-methyl-1,3-benzoxazole
IUPAC Name 2-methyl-1,3-benzoxazol-5-amine
InChI Key FECYTFWPNCBIHC-UHFFFAOYSA-N
Molecular Formula C8H8N2O
10

Sigma Aldrich [3,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]acetic acid

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11

2-(Chloromethyl)-1,3-benzoxazole, 95%

CAS: 41014-43-1 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.59 MDL Number: MFCD05664964 InChI Key: ANRDUCQCZKLSGF-UHFFFAOYSA-N Synonym: 2-chloromethyl-1,3-benzoxazole,2-chloromethyl benzo d oxazole,2-chloromethyl benzoxazole,benzoxazole, 2-chloromethyl,chloromethylbenzoxazole,2-chloromethylbenzoxazole,2-chloromethyl-benzooxazole,chloromethyl-benzoxazole,acmc-1aqt5 PubChem CID: 2061989 IUPAC Name: 2-(chloromethyl)-1,3-benzoxazole SMILES: ClCC1=NC2=CC=CC=C2O1

PubChem CID 2061989
CAS 41014-43-1
Molecular Weight (g/mol) 167.59
MDL Number MFCD05664964
SMILES ClCC1=NC2=CC=CC=C2O1
Synonym 2-chloromethyl-1,3-benzoxazole,2-chloromethyl benzo d oxazole,2-chloromethyl benzoxazole,benzoxazole, 2-chloromethyl,chloromethylbenzoxazole,2-chloromethylbenzoxazole,2-chloromethyl-benzooxazole,chloromethyl-benzoxazole,acmc-1aqt5
IUPAC Name 2-(chloromethyl)-1,3-benzoxazole
InChI Key ANRDUCQCZKLSGF-UHFFFAOYSA-N
Molecular Formula C8H6ClNO
12

Sigma Aldrich 3-(5-(4-BROMOPHENYL)-1 3 4-OXADIAZOL-2-YL)PROPANOIC ACID

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13

Sigma Aldrich 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-boronic acid pinacol ester

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CAS 1003846-21-6
14

6-Methyl-1,3-benzoxazole-2(3H)-thione 98.0+%, TCI America™

CAS: 23417-29-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00087075,MFCD00175644 InChI Key: NUMDWMDMUXZMHA-UHFFFAOYSA-N Synonym: 6-Methyl-1,3-benzoxazole-2-thiol PubChem CID: 963501 IUPAC Name: 6-methyl-2,3-dihydro-1,3-benzoxazole-2-thione SMILES: CC1=CC=C2NC(=S)OC2=C1

PubChem CID 963501
CAS 23417-29-0
Molecular Weight (g/mol) 165.21
MDL Number MFCD00087075,MFCD00175644
SMILES CC1=CC=C2NC(=S)OC2=C1
Synonym 6-Methyl-1,3-benzoxazole-2-thiol
IUPAC Name 6-methyl-2,3-dihydro-1,3-benzoxazole-2-thione
InChI Key NUMDWMDMUXZMHA-UHFFFAOYSA-N
Molecular Formula C8H7NOS
15

2-Methylnaphth[2,1-d]oxazole 98.0+%, TCI America™

CAS: 20686-65-1 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00022185 InChI Key: JKYSRHYQAVELLH-UHFFFAOYSA-N Synonym: 2-methylnaphth 2,1-d oxazole,2-methylnaphtho 2,1-d oxazole,naphth 2,1-d oxazole, 2-methyl,2-methylnaphtho 2,1-d 1,3 oxazole,2-methylbenzo g 1,3 benzoxazole,pubchem8703,2-methylbenzo g benzoxazole PubChem CID: 88652 IUPAC Name: 2-methylbenzo[g][1,3]benzoxazole SMILES: CC1=NC2=C(O1)C3=CC=CC=C3C=C2

PubChem CID 88652
CAS 20686-65-1
Molecular Weight (g/mol) 183.21
MDL Number MFCD00022185
SMILES CC1=NC2=C(O1)C3=CC=CC=C3C=C2
Synonym 2-methylnaphth 2,1-d oxazole,2-methylnaphtho 2,1-d oxazole,naphth 2,1-d oxazole, 2-methyl,2-methylnaphtho 2,1-d 1,3 oxazole,2-methylbenzo g 1,3 benzoxazole,pubchem8703,2-methylbenzo g benzoxazole
IUPAC Name 2-methylbenzo[g][1,3]benzoxazole
InChI Key JKYSRHYQAVELLH-UHFFFAOYSA-N
Molecular Formula C12H9NO