4-Methylbenzoxazol-2(3H)-one - CAS 78258-80-7

Catalog:	BB036143
Product Name:	4-Methylbenzoxazol-2(3H)-one
CAS:	78258-80-7
Synonyms:	4-methyl-3H-1,3-benzoxazol-2-one; 4-methyl-3H-1,3-benzoxazol-2-one

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-3H-1,3-benzoxazol-2-one
Description:	4-Methylbenzoxazol-2(3H)-one (CAS# 78258-80-7 ) is a useful research chemical.
Molecular Weight:	149.15
Molecular Formula:	C8H7NO2
Canonical SMILES:	CC1=C2C(=CC=C1)OC(=O)N2
InChI:	InChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)9-8(10)11-6/h2-4H,1H3,(H,9,10)
InChI Key:	ZTOHIACMTGKKDU-UHFFFAOYSA-N
MDL:	MFCD16742805
LogP:	1.42950

Publication Number	Title	Priority Date
WO-2020065613-A1	Monoacylglycerol lipase modulators	20180928
WO-2019243841-A1	Novel compounds	20180622
US-2019135778-A1	Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions	20171103
US-10865194-B2	Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions	20171103
JP-WO2018221555-A1	Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1	20170531

PMID	Publication Date	Title	Journal
17180912	20061101	[Synthesis of heteroaromatic N-beta-glycosides of N-acetylglucosamine under the conditions of phase transfer catalysis: I. Glucosaminides of 2-oxobenzazoles]	Bioorganicheskaia khimiia

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Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.047678466
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5