2-Benzyloxazole-4-carboxylic Acid - CAS 53697-48-6

Catalog:	BB028328
Product Name:	2-Benzyloxazole-4-carboxylic Acid
CAS:	53697-48-6
Synonyms:	2-(phenylmethyl)-4-oxazolecarboxylic acid; 2-benzyl-1,3-oxazole-4-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-benzyl-1,3-oxazole-4-carboxylic acid
Description:	2-Benzyloxazole-4-carboxylic Acid (CAS# 53697-48-6 ) is a useful research chemical.
Molecular Weight:	203.19
Molecular Formula:	C11H9NO3
Canonical SMILES:	C1=CC=C(C=C1)CC2=NC(=CO2)C(=O)O
InChI:	InChI=1S/C11H9NO3/c13-11(14)9-7-15-10(12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChI Key:	VAYBOSNJNOVYKB-UHFFFAOYSA-N
LogP:	1.96360

Publication Number	Title	Priority Date
WO-2019173790-A1	Pyridinone- and pyridazinone-based compounds and medical uses thereof	20180309
EP-3762377-A1	Pyridinone- and pyridazinone-based compounds and medical uses thereof	20180309
RU-2544862-C2	Fluorinated aminotriazole derivatives	20090609
US-2005130970-A1	Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters	20031114
US-2009018140-A1	Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters	20031114

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Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.058243149
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.058243149
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2