2-(5-Phenyl-2-oxazolyl)benzoic acid - CAS 23464-97-3

Catalog:	BB018070
Product Name:	2-(5-Phenyl-2-oxazolyl)benzoic acid
CAS:	23464-97-3
Synonyms:	2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid

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IUPAC Name:	2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid
Description:	2-(5-Phenyl-2-oxazolyl)benzoic acid (CAS# 23464-97-3) is a useful research chemical.
Molecular Weight:	265.26
Molecular Formula:	C16H11NO3
Canonical SMILES:	C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)O
InChI:	InChI=1S/C16H11NO3/c18-16(19)13-9-5-4-8-12(13)15-17-10-14(20-15)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChI Key:	HEIBWPHLFHWDAX-UHFFFAOYSA-N
Boiling Point:	494.5 °C at 760 mmHg
Density:	1.271 g/cm³
Appearance:	Solid
MDL:	MFCD00427229
LogP:	3.70680

Publication Number	Title	Priority Date
US-2019202853-A1	Dna polymerase beta inhibitors	20160819
US-10711027-B2	DNA polymerase beta inhibitors	20160819
SU-1051083-A1	2-(2-carboxyphenyl)-5-aryloxazoles as organic phosphors of blue-violet luminescence in organic solvents and aqueous medium and process for preparing same	19810918
US-4081458-A	Anti-androgen compounds	19770526
US-4120861-A	2-(5-Phenyl-1,3,4-thiadiazol-2-yl)benzoic acid	19760112

PMID	Publication Date	Title	Journal
21588717	20100821	5-(4-Fluoro-phen-yl)-2-[2-(5-phenyl-1,3-oxazol-2-yl)phen-yl]-1,3-oxazole	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	341
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.07389321
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	265.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2