Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate - CAS 640291-92-5

Catalog:	BB032345
Product Name:	Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
CAS:	640291-92-5
Synonyms:	ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate
Description:	Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate (CAS# 640291-92-5 ) is a useful research chemical.
Molecular Weight:	235.21
Molecular Formula:	C12H10FNO3
Canonical SMILES:	CCOC(=O)C1=NOC(=C1)C2=CC=C(C=C2)F
InChI:	InChI=1S/C12H10FNO3/c1-2-16-12(15)10-7-11(17-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChI Key:	IYDBYHCVVNAFSM-UHFFFAOYSA-N
LogP:	2.65740

Publication Number	Title	Priority Date
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126
US-2019022071-A1	Methods of treating pulmonary diseases and disorders	20150831
WO-2017040606-A1	Isoxazole derivatives for use in the treatment of pulmonary diseases and disorders	20150831
US-2016128984-A1	Isoxazole compounds and methods for the treatment of cystic fibrosis	20141002

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Related Functional Groups

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[62348-13-4]
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[351-28-0]
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[2696462-69-6]
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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:	235.06447134
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.06447134
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7