(S)-4-(tert-Butyl)-3-(2-chloro-4-pyrimidinyl)-2-oxazolidinone - CAS 1429180-89-1

Name: (S)-4-(tert-Butyl)-3-(2-chloro-4-pyrimidinyl)-2-oxazolidinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009466
Product Name:	(S)-4-(tert-Butyl)-3-(2-chloro-4-pyrimidinyl)-2-oxazolidinone
CAS:	1429180-89-1
Synonyms:	(4S)-4-tert-butyl-3-(2-chloro-4-pyrimidinyl)-2-oxazolidinone; (4S)-4-tert-butyl-3-(2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one

Technical Data

IUPAC Name:	4-tert-butyl-3-(2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one
Description:	(S)-4-(tert-Butyl)-3-(2-chloro-4-pyrimidinyl)-2-oxazolidinone (CAS# 1429180-89-1 ) is a useful research chemical.
Molecular Weight:	255.70
Molecular Formula:	C11H14ClN3O2
Canonical SMILES:	CC(C)(C)C1COC(=O)N1C2=NC(=NC=C2)Cl
InChI:	InChI=1S/C11H14ClN3O2/c1-11(2,3)7-6-17-10(16)15(7)8-4-5-13-9(12)14-8/h4-5,7H,6H2,1-3H3/t7-/m1/s1
InChI Key:	ZLJGRBSHBLDTRN-SSDOTTSWSA-N
LogP:	2.56630

Publication Number	Title	Priority Date
EP-2771337-B1	3-(pyrimidin-4-yl)-oxazolidin-2-ones as inhibitors of mutant idh	20110927
WO-2013046136-A1	3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant idh	20110927

Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.0774544
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.0774544
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8