2-Methyloxazole-4-carboxylic acid - CAS 23012-17-1

Catalog:	BB017864
Product Name:	2-Methyloxazole-4-carboxylic acid
CAS:	23012-17-1
Synonyms:	2-methyl-1,3-oxazole-4-carboxylic acid

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Computed Properties

IUPAC Name:	2-methyl-1,3-oxazole-4-carboxylic acid
Description:	2-Methyloxazole-4-carboxylic acid (CAS# 23012-17-1) is a useful research chemical compound.
Molecular Weight:	127.10
Molecular Formula:	C5H5NO3
Canonical SMILES:	CC1=NC(=CO1)C(=O)O
InChI:	InChI=1S/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
InChI Key:	IARMCEYEYXXEOS-UHFFFAOYSA-N
Purity:	95 %
LogP:	-0.23020

Publication Number	Title	Priority Date
WO-2021188911-A1	Cyclic sulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2021158626-A1	Adamts inhibitors, preparation methods and medicinal uses thereof	20200204
WO-2021127283-A2	Irak degraders and uses thereof	20191217
WO-2021028382-A1	[1,2,4]triazolo[1,5-c]quinazolin-5-amines	20190812
WO-2020264499-A1	Irak degraders and uses thereof	20190628

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.026943022
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.026943022
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6