CAS 22876-15-9 | 5-Methylbenzo[d]oxazol-2(3H);-one | CAS Number 22876-15-9

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22876-15-9 | 5-Methylbenzo[d]oxazol-2(3H);-one

CAS No: 22876-15-9 Catalog No: AG007PA5 MDL No:MFCD02090048

Product Description

Catalog Number:

AG007PA5

Chemical Name:

5-Methylbenzo[d]oxazol-2(3H);-one

CAS Number:

22876-15-9

Molecular Formula:

C8H7NO2

Molecular Weight:

149.1467

MDL Number:

MFCD02090048

IUPAC Name:

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

InChI:

InChI=1S/C8H7NO2/c1-5-2-3-7-6(4-5)9-8(10)11-7/h2-4H,1H3,(H,9,10)

InChI Key:

GBLBFWAKNXWFFS-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)[nH]c(=O)o2

NSC Number:

280710

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

149.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

149.149g/mol

Monoisotopic Mass:

149.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Synthesis and biological activities of some 1,3-benzoxazol-2(3H)-one derivatives as anti-quorum sensing agents.	Arzneimittel-Forschung 20120701
Synthesis and evaluation of analgesic, anti-inflammatory and antioxidant activities of new 6-acyl-3-alkyl-5-methyl-2(3H)-benzoxazolones.	Arzneimittel-Forschung 20080101
1-Acylthiosemicarbazides, 1,2,4-triazole-5(4H)-thiones, 1,3,4-thiadiazoles and hydrazones containing 5-methyl-2-benzoxazolinones: synthesis, analgesic-anti-inflammatory and antimicrobial activities.	Bioorganic & medicinal chemistry 20070901