5-Hydroxy-3-methyl-1,2,4-oxadiazole - CAS 52386-40-0

Name: 5-Hydroxy-3-methyl-1,2,4-oxadiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027808
Product Name:	5-Hydroxy-3-methyl-1,2,4-oxadiazole
CAS:	52386-40-0
Synonyms:	3-methyl-4H-1,2,4-oxadiazol-5-one; 3-methyl-4H-1,2,4-oxadiazol-5-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-methyl-4H-1,2,4-oxadiazol-5-one
Description:	5-Hydroxy-3-methyl-1,2,4-oxadiazole (CAS# 52386-40-0) is a useful research chemical.
Molecular Weight:	100.08
Molecular Formula:	C3H4N2O2
Canonical SMILES:	CC1=NOC(=O)N1
InChI:	InChI=1S/C3H4N2O2/c1-2-4-3(6)7-5-2/h1H3,(H,4,5,6)
InChI Key:	RKRLQDJTVWZXMM-UHFFFAOYSA-N
LogP:	0.08360

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Related Functional Groups

Alcohols and Derivatives

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021195599-A1	Mtorc1 modulators and uses thereof	20200327
WO-2021160127-A1	Heterocyclic glp-1 agonists	20200213
US-2021171475-A1	Compounds	20180831
WO-2020030781-A1	Tricyclic inhibitors of hepatitis b virus	20180810
CN-113272309-A	Tricyclic inhibitors of hepatitis B virus	20180810

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.027277375
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.027277375
Rotatable Bond Count:	0
Topological Polar Surface Area:	50.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2