(S)-4-Methyl-2-oxazolidinone - CAS 4042-35-7

Catalog:	BB024495
Product Name:	(S)-4-Methyl-2-oxazolidinone
CAS:	4042-35-7
Synonyms:	(4S)-4-methyl-1,3-oxazolidin-2-one

Technical Data

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Computed Properties

IUPAC Name:	(4S)-4-methyl-1,3-oxazolidin-2-one
Description:	(S)-4-Methyl-2-oxazolidinone (CAS# 4042-35-7) is a useful research chemical.
Molecular Weight:	101.10
Molecular Formula:	C4H7NO2
Canonical SMILES:	CC1COC(=O)N1
InChI:	InChI=1S/C4H7NO2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1
InChI Key:	VAJFEOKPKHIPEN-VKHMYHEASA-N
Flash Point:	> 110 °C(230.0 °F)
Purity:	95 %
Appearance:	Powder
Storage:	Keep cold.
MDL:	MFCD06656589
LogP:	0.44350

Publication Number	Title	Priority Date
US-2021309651-A1	Lpxc inhibitor and methods of making	20200325
WO-2021134004-A1	Cyclic compounds and methods of using same	20191227
JP-2021080177-A	Heterocyclic compounds and their uses	20191114
WO-2021094832-A1	Heterocyclic nmda antagonists	20191114
WO-2021004535-A1	Cinnolines as inhibitors of hpk 1	20190711

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P280 - P305+P351+P338
Signal Word:	Warning

Complexity:	91.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	101.047678466
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	101.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2