Ethyl 5-(thiophen-2-yl)isoxazole-3-carboxylate - CAS 90924-54-2

Catalog:	BB039996
Product Name:	Ethyl 5-(thiophen-2-yl)isoxazole-3-carboxylate
CAS:	90924-54-2
Synonyms:	ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
Description:	Ethyl 5-(thiophen-2-yl)isoxazole-3-carboxylate (CAS# 90924-54-2) is a useful reagent for organic synthesis.
Molecular Weight:	223.25
Molecular Formula:	C10H9NO3S
Canonical SMILES:	CCOC(=O)C1=NOC(=C1)C2=CC=CS2
InChI:	InChI=1S/C10H9NO3S/c1-2-13-10(12)7-6-8(14-11-7)9-4-3-5-15-9/h3-6H,2H2,1H3
InChI Key:	YPIUQIUZEYMWAX-UHFFFAOYSA-N
Boiling Point:	379.7 °C at 760 mmHg
Density:	1.278 g/cm³
MDL:	MFCD02090509
LogP:	2.57980

Publication Number	Title	Priority Date
WO-2020058913-A1	Isoxazole carboxamide compounds and uses thereof	20180921
EP-3853212-A1	Isoxazole carboxamide compounds and uses thereof	20180921
KR-20210066848-A	Isoxazole carboxamide compounds and uses thereof	20180921
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126
AU-2018237987-A1	Isoxazole carboxamide compounds and uses thereof	20170324

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Related Functional Groups

Thiophenes

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.03031432
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.03031432
Rotatable Bond Count:	4
Topological Polar Surface Area:	80.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3