2-Phenyloxazole-4-carboxylic Acid - CAS 23012-16-0

Catalog:	BB017863
Product Name:	2-Phenyloxazole-4-carboxylic Acid
CAS:	23012-16-0
Synonyms:	2-phenyl-4-oxazolecarboxylic acid; 2-phenyl-1,3-oxazole-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-phenyl-1,3-oxazole-4-carboxylic acid
Description:	2-Phenyloxazole-4-carboxylic Acid (CAS# 23012-16-0) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C10H7NO3
Canonical SMILES:	C1=CC=C(C=C1)C2=NC(=CO2)C(=O)O
InChI:	InChI=1S/C10H7NO3/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:	KQRWYYSDIFOTTP-UHFFFAOYSA-N
Boiling Point:	396.4 °C at 760 mmHg
Density:	1.32 g/cm³
Appearance:	Solid
MDL:	MFCD03236685
LogP:	2.03980

Publication Number	Title	Priority Date
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
EP-3822265-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094434-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021073643-A1	Drug for treating non-alcoholic steatohepatitis	20191018
CN-110407824-A	Aryl methanamide compounds and preparation method thereof, pharmaceutical composition and purposes	20190808

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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