5-(Chloromethyl)-4-methyloxazole - CAS 45515-22-8

Catalog:	BB025906
Product Name:	5-(Chloromethyl)-4-methyloxazole
CAS:	45515-22-8
Synonyms:	5-(chloromethyl)-4-methyloxazole; 5-(chloromethyl)-4-methyl-1,3-oxazole

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Computed Properties

IUPAC Name:	5-(chloromethyl)-4-methyl-1,3-oxazole
Description:	5-(Chloromethyl)-4-methyloxazole (CAS# 45515-22-8) is a useful research chemical.
Molecular Weight:	131.56
Molecular Formula:	C5H6ClNO
Canonical SMILES:	CC1=C(OC=N1)CCl
InChI:	InChI=1S/C5H6ClNO/c1-4-5(2-6)8-3-7-4/h3H,2H2,1H3
InChI Key:	DUTCFYSYEZIRIM-UHFFFAOYSA-N
LogP:	1.72180

Publication Number	Title	Priority Date
WO-2021086879-A1	Compounds and methods of use	20191028
US-11077101-B1	Compounds and methods of use	20180718
AU-2006250354-A1	Pyrazole compound and therapeutic agent for diabetes comprising the same	20050523
BR-PI0609464-A2	pyrazole compound and therapeutic agent for diabetes comprising the same	20050523
CA-2609394-A1	Pyrazole compound and therapeutic agent for diabetes comprising the same	20050523

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.0137915
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2