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Ethyl 3-(tert-Butyl)-1,2,4-oxadiazole-5-carboxylate

Ethyl 3-(tert-Butyl)-1,2,4-oxadiazole-5-carboxylate - CAS 163719-73-1

Catalog:	BB012028
Product Name:	Ethyl 3-(tert-Butyl)-1,2,4-oxadiazole-5-carboxylate
CAS:	163719-73-1
Synonyms:	3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid ethyl ester; ethyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate
Description:	Ethyl 3-(tert-Butyl)-1,2,4-oxadiazole-5-carboxylate (CAS# 163719-73-1 ) is a useful research chemical.
Molecular Weight:	198.22
Molecular Formula:	C9H14N2O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)C(C)(C)C
InChI:	InChI=1S/C9H14N2O3/c1-5-13-7(12)6-10-8(11-14-6)9(2,3)4/h5H2,1-4H3
InChI Key:	VZDMDNVKCBYOAD-UHFFFAOYSA-N
LogP:	1.54380

Publication Number	Title	Priority Date
WO-2021087112-A1	Condensed bi-heterocycles as inhibiting agents for bruton's tyrosine kinase	20191030
US-2011166146-A1	IMIDAZO[1,2-a]PYRIDINE COMPOUNDS	20080519
US-2013289013-A1	IMIDAZO[1,2-a]PYRIDINE COMPOUNDS	20080519
US-8497278-B2	Imidazo[1,2-a]pyridine compounds	20080519

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Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.10044231
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.10044231
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4