5-Phenyloxazole-4-carboxylic Acid - CAS 99924-18-2

Catalog:	BB042364
Product Name:	5-Phenyloxazole-4-carboxylic Acid
CAS:	99924-18-2
Synonyms:	5-phenyl-4-oxazolecarboxylic acid; 5-phenyl-1,3-oxazole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-phenyl-1,3-oxazole-4-carboxylic acid
Description:	5-Phenyloxazole-4-carboxylic Acid (CAS# 99924-18-2) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C10H7NO3
Canonical SMILES:	C1=CC=C(C=C1)C2=C(N=CO2)C(=O)O
InChI:	InChI=1S/C10H7NO3/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:	RUKDIKJSGDVSIF-UHFFFAOYSA-N
Boiling Point:	354.73 °C at 760 mmHg
Density:	1.32 g/cm³
MDL:	MFCD00105447
LogP:	2.03980

Publication Number	Title	Priority Date
WO-2018064119-A1	Calpain modulators and therapeutic uses thereof	20160928
US-10934261-B2	Calpain modulators and therapeutic uses thereof	20160928
AU-2013328301-A1	Orexin receptor antagonists which are [ortho bi (hetero-)aryl]-[2-(meta bi (hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives	20121010
CA-2885180-A1	Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives	20121010
EP-2906553-A1	Orexin receptor antagonists which are [ortho bi (hetero )aryl]-[2-(meta bi (hetero)aryl)-pyrrolidin-1-yl]-methanone derivatives	20121010

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GHS Hazard Statement:	H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.042593085
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9