Benzoxazolones

Description:

Organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Benzoxazoles ⮕ Benzoxazolones

Popular Products

Phenyl 5-Chloro-2-Oxobenzo(D)Oxazole-3(2H)-Carboxylate
CAS: 371215-02-0 Formula: C₁₄H₈ClNO₄ Molecular Weight: 289.67

≥98%

Out of Stock Item #: P1336847

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Technical Identifiers

IUPAC Name

phenyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate

SMILES

C1=CC=C(C=C1)OC(=O)N2C3=C(C=CC(=C3)Cl)OC2=O

InChIKey
FYDGHUOMMFLMLH-UHFFFAOYSA-N

InChI

1S/C14H8ClNO4/c15-9-6-7-12-11(8-9)16(14(18)20-12)13(17)19-10-4-2-1-3-5-10/h1-8H
5-Chloro-6-hydroxybenzo[d]oxazol-2(3H)-one
CAS: 1750-45-4 PubChem CID: 2734 Formula: C₇H₄ClNO₃ Molecular Weight: 185.56

Solid Moligand™ ? ≥97%

Out of Stock Item #: C768416

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IUPAC Name

5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one

SMILES

C1=C2C(=CC(=C1Cl)O)OC(=O)N2

InChIKey
AGLXDWOTVQZHIQ-UHFFFAOYSA-N

InChI

1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)

Synonyms
5-Chloro-6-hydroxybenzo[d]oxazol-2(3H)-one | 6-Hydroxy Chlorzoxazone
Methyl 2-oxo-2，3-dihydro-1，3-benzoxazole-6-carboxylate
CAS: 72752-80-8 PubChem CID: 12564532 Formula: C₉H₇NO₄ Molecular Weight: 193.16

Out of Stock Item #: M726921

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IUPAC Name

methyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate

SMILES

COC(=O)C1=CC2=C(C=C1)NC(=O)O2

InChIKey
FUJBKRLYHYJMNF-UHFFFAOYSA-N

InChI

1S/C9H7NO4/c1-13-8(11)5-2-3-6-7(4-5)14-9(12)10-6/h2-4H,1H3,(H,10,12)
4-Acetylbenzo[d]oxazol-2(3H)-one
CAS: 70735-79-4 PubChem CID: 9989779 Formula: C₉H₇NO₃ Molecular Weight: 177.16

≥95%

Out of Stock Item #: A710446

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IUPAC Name

4-acetyl-3H-1,3-benzoxazol-2-one

SMILES

CC(=O)C1=C2C(=CC=C1)OC(=O)N2

InChIKey
FZAQRVWPQCXSPC-UHFFFAOYSA-N

InChI

1S/C9H7NO3/c1-5(11)6-3-2-4-7-8(6)10-9(12)13-7/h2-4H,1H3,(H,10,12)
5-Hydroxybenzo[d]oxazol-2(3H)-one
CAS: 54209-92-6 PubChem CID: 16046671 Formula: C₇H₅NO₃ Molecular Weight: 151.12

≥97%

Out of Stock Item #: H728628

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Technical Identifiers

IUPAC Name

5-hydroxy-3H-1,3-benzoxazol-2-one

SMILES

C1=CC2=C(C=C1O)NC(=O)O2

InChIKey
QBUICLNAZOIKFL-UHFFFAOYSA-N

InChI

1S/C7H5NO3/c9-4-1-2-6-5(3-4)8-7(10)11-6/h1-3,9H,(H,8,10)
4-Aminobenzo[d]Oxazol-2(3H)-One
CAS: 81900-93-8 PubChem CID: 19982202 Formula: C₇H₆N₂O₂ Molecular Weight: 150.13

≥97%

Out of Stock Item #: A729704

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IUPAC Name

4-amino-3H-1,3-benzoxazol-2-one

SMILES

C1=CC(=C2C(=C1)OC(=O)N2)N

InChIKey
VGLGTAGWVRMFQF-UHFFFAOYSA-N

InChI

1S/C7H6N2O2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,8H2,(H,9,10)
2-(2-Oxobenzo[d]oxazol-3(2H)-yl)acetic acid
CAS: 13610-49-6 PubChem CID: 737119 Formula: C₉H₇NO₄ Molecular Weight: 193.16

Solid ≥98%

In Stock Item #: Y735327

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IUPAC Name

2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid

SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)O

InChIKey
PHIUXGVYFVAGTC-UHFFFAOYSA-N

InChI

1S/C9H7NO4/c11-8(12)5-10-6-3-1-2-4-7(6)14-9(10)13/h1-4H,5H2,(H,11,12)

Synonyms
2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid | 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid | DTXSID40353168
6-Methylbenzo[d]oxazol-2(3H)-one
CAS: 22876-16-0 EC Number: 803-521-9 PubChem CID: 322634 Formula: C₈H₇NO₂ Molecular Weight: 149.15

Solid ≥98%

Out of Stock Item #: M697382

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IUPAC Name

6-methyl-3H-1,3-benzoxazol-2-one

SMILES

CC1=CC2=C(C=C1)NC(=O)O2

InChIKey
SAQACWOVZKNHSB-UHFFFAOYSA-N

InChI

1S/C8H7NO2/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
Bromchlorenone
CAS: 5579-85-1 EC Number: 226-967-0 Formula: C₇H₃BrClNO₂ Molecular Weight: 248.46

Solid ≥97%

Out of Stock Item #: B693738

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IUPAC Name

6-bromo-5-chloro-3H-1,3-benzoxazol-2-one

SMILES

C1=C2C(=CC(=C1Cl)Br)OC(=O)N2

InChIKey
KVAWWXSLBDVXHJ-UHFFFAOYSA-N

InChI

1S/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)

Synonyms
6-Bromo-5-chloro-3H-1,3-benzoxazol-2-one | 6-Bromo-5-chlorobenzo[d]oxazol-2(3H)-one
5-(Methylsulfonyl)benzo[d]oxazol-2(3H)-one
CAS: 13920-98-4 EC Number: 237-688-9 PubChem CID: 84104

≥95%

Out of Stock Item #: B694855

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IUPAC Name

5-methylsulfonyl-3H-1,3-benzoxazol-2-one

SMILES

CS(=O)(=O)C1=CC2=C(C=C1)OC(=O)N2

InChIKey
QUKRTJQSGPLQKQ-UHFFFAOYSA-N

InChI

1S/C8H7NO4S/c1-14(11,12)5-2-3-7-6(4-5)9-8(10)13-7/h2-4H,1H3,(H,9,10)
4-Nitrobenzo[D]Oxazol-2(3H)-One
CAS: 28955-71-7 PubChem CID: 15933958 Formula: C₇H₄N₂O₄ Molecular Weight: 180.12

≥97%

Out of Stock Item #: N691371

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IUPAC Name

4-nitro-3H-1,3-benzoxazol-2-one

SMILES

C1=CC(=C2C(=C1)OC(=O)N2)[N+](=O)[O-]

InChIKey
IXZMRVOOBBPFIZ-UHFFFAOYSA-N

InChI

1S/C7H4N2O4/c10-7-8-6-4(9(11)12)2-1-3-5(6)13-7/h1-3H,(H,8,10)
2-oxo-3H-1，3-benzoxazole-6-carbaldehyde
CAS: 54903-15-0 EC Number: 948-242-4 PubChem CID: 391474

≥95%

Out of Stock Item #: O697602

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IUPAC Name

2-oxo-3H-1,3-benzoxazole-6-carbaldehyde

SMILES

C1=CC2=C(C=C1C=O)OC(=O)N2

InChIKey
IMJHZVCEOBDHMM-UHFFFAOYSA-N

InChI

1S/C8H5NO3/c10-4-5-1-2-6-7(3-5)12-8(11)9-6/h1-4H,(H,9,11)

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