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3-(tert-Butyl)-1,2,4-oxadiazole-5-carboxylic Acid

3-(tert-Butyl)-1,2,4-oxadiazole-5-carboxylic Acid - CAS 944906-41-6

Catalog:	BB041379
Product Name:	3-(tert-Butyl)-1,2,4-oxadiazole-5-carboxylic Acid
CAS:	944906-41-6
Synonyms:	3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid; 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid
Description:	3-(tert-Butyl)-1,2,4-oxadiazole-5-carboxylic Acid (CAS# 944906-41-6 ) is a useful research chemical.
Molecular Weight:	170.17
Molecular Formula:	C7H10N2O3
Canonical SMILES:	CC(C)(C)C1=NOC(=N1)C(=O)O
InChI:	InChI=1S/C7H10N2O3/c1-7(2,3)6-8-4(5(10)11)12-9-6/h1-3H3,(H,10,11)
InChI Key:	KXCQFZZGMDXNGS-UHFFFAOYSA-N
LogP:	1.06530

Publication Number	Title	Priority Date
WO-2021087112-A1	Condensed bi-heterocycles as inhibiting agents for bruton's tyrosine kinase	20191030
WO-2020232330-A1	Inhibiting agents for bruton's tyrosine kinase	20190515
WO-2020043638-A1	Fused imidazopyridines as reversible inhibitors of bruton's tyrosine kinase (btk)	20180828
TW-202023551-A	Fused imidazopyridines as reversible inhibitors of brutonâ€™s tyrosine kinase (btk)	20180828
EP-3843847-A1	Fused imidazopyridines as reversible inhibitors of bruton's tyrosine kinase (btk)	20180828

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Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.06914219
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.06914219
Rotatable Bond Count:	2
Topological Polar Surface Area:	76.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7