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Ethyl 2-(4-Chlorophenyl)oxazole-4-carboxylate

Ethyl 2-(4-Chlorophenyl)oxazole-4-carboxylate - CAS 78979-62-1

Catalog:	BB036263
Product Name:	Ethyl 2-(4-Chlorophenyl)oxazole-4-carboxylate
CAS:	78979-62-1
Synonyms:	2-(4-chlorophenyl)-4-oxazolecarboxylic acid ethyl ester; ethyl 2-(4-chlorophenyl)-1,3-oxazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
Description:	Ethyl 2-(4-Chlorophenyl)oxazole-4-carboxylate (CAS# 78979-62-1 ) is a useful research chemical.
Molecular Weight:	251.67
Molecular Formula:	C12H10ClNO3
Canonical SMILES:	CCOC(=O)C1=COC(=N1)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C12H10ClNO3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChI Key:	DRGDGJIFGJFXKC-UHFFFAOYSA-N
LogP:	3.17170

Publication Number	Title	Priority Date
EP-3567044-A1	Novel quinolinone derivative and pharmaceutical composition for preventing or treating allergic disease such as asthma or atopy comprising same as active ingredient	20170106
US-2020140457-A1	Novel quinolinone derivative and pharmaceutical composition for preventing or treating allergic diseases such as asthma or atopic dermatitis including the quinolinone derivative as active ingredient	20170106
WO-2018128407-A1	Novel quinolinone derivative and pharmaceutical composition for preventing or treating allergic disease such as asthma or atopy comprising same as active ingredient	20170106

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Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.0349209
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.0349209
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2