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Ethyl 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylate

Ethyl 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylate - CAS 495417-31-7

Catalog:	BB026726
Product Name:	Ethyl 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylate
CAS:	495417-31-7
Synonyms:	3-(4-methoxyphenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester; ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
Description:	Ethyl 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylate (CAS# 495417-31-7) is a useful research chemical.
Molecular Weight:	261.27
Molecular Formula:	C14H15NO4
Canonical SMILES:	CCOC(=O)C1=C(ON=C1C2=CC=C(C=C2)OC)C
InChI:	InChI=1S/C14H15NO4/c1-4-18-14(16)12-9(2)19-15-13(12)10-5-7-11(17-3)8-6-10/h5-8H,4H2,1-3H3
InChI Key:	MUYXCIVUXOZRPE-UHFFFAOYSA-N
LogP:	2.83530

Publication Number	Title	Priority Date
EP-2227475-A1	Isoxazolopyridine derivatives for use in the treatment of hif-mediated conditions	20071203
EP-2227475-B1	Isoxazolopyridine derivatives for use in the treatment of hif-mediated conditions	20071203
US-2010303928-A1	Isoxazolopyridine derivatives for use in the treatment of hif-mediated conditions	20071203
US-8269008-B2	Oxazolopyridine and isoxazolopyridine derivatives for use in the treatment of HIF-mediated conditions	20071203
WO-2009073669-A1	Isoxazolopyridine derivatives for use in the treatment of hif-mediated conditions	20071203

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Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.10010796
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.10010796
Rotatable Bond Count:	5
Topological Polar Surface Area:	61.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6