Ethyl 3-Ethylisoxazole-4-carboxylate - CAS 639523-11-8

Catalog:	BB032332
Product Name:	Ethyl 3-Ethylisoxazole-4-carboxylate
CAS:	639523-11-8
Synonyms:	3-ethyl-4-isoxazolecarboxylic acid ethyl ester; ethyl 3-ethyl-1,2-oxazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-ethyl-1,2-oxazole-4-carboxylate
Description:	Ethyl 3-Ethylisoxazole-4-carboxylate (CAS# 639523-11-8 ) is a useful research chemical.
Molecular Weight:	169.18
Molecular Formula:	C8H11NO3
Canonical SMILES:	CCC1=NOC=C1C(=O)OCC
InChI:	InChI=1S/C8H11NO3/c1-3-7-6(5-12-9-7)8(10)11-4-2/h5H,3-4H2,1-2H3
InChI Key:	CEORCTQTTTZSLY-UHFFFAOYSA-N
LogP:	1.41370

Publication Number	Title	Priority Date
EP-3642204-A1	PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS	20170621
US-2020123166-A1	PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS	20170621
WO-2018234345-A1	PYRAZOLO [1,5A] PYRIMIDINE DERIVATIVES AS MODULATORS OF IRAK4	20170621
US-11034698-B2	Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators	20170621
TW-200924763-A	Isoxazolo-pyridine derivatives	20071204

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.07389321
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.07389321
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4