5-Methoxybenzoxazol-2(3H)-one - CAS 40925-63-1

Catalog:	BB024717
Product Name:	5-Methoxybenzoxazol-2(3H)-one
CAS:	40925-63-1
Synonyms:	5-methoxy-3H-1,3-benzoxazol-2-one; 5-methoxy-3H-1,3-benzoxazol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methoxy-3H-1,3-benzoxazol-2-one
Description:	5-Methoxybenzoxazol-2(3H)-one (CAS# 40925-63-1) is a useful research chemical.
Molecular Weight:	165.15
Molecular Formula:	C8H7NO3
Canonical SMILES:	COC1=CC2=C(C=C1)OC(=O)N2
InChI:	InChI=1S/C8H7NO3/c1-11-5-2-3-7-6(4-5)9-8(10)12-7/h2-4H,1H3,(H,9,10)
InChI Key:	YOLHKYWNQMSMDN-UHFFFAOYSA-N
Density:	1.309 g/cm³
LogP:	1.12970

Publication Number	Title	Priority Date
WO-2020244452-A1	HETEROCYCLIC DERIVATIVE HAVING Î²2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF	20190606
WO-2020163541-A1	Methods and compositions for modulating splicing	20190205
AU-2013360866-A1	New cyclohexyl and quinuclidinyl carbamate derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activity	20121218
CA-2892931-A1	Cyclohexyl and quinuclidinyl carbamate derivatives having ss2 adrenergic agonist and m3 muscarinic antagonist activities	20121218
EP-2934594-A1	New cyclohexyl and quinuclidinyl carbamate derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activity	20121218

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Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.042593085
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1