4-Methyloxazolidin-2-one - CAS 16112-59-7

Catalog:	BB011705
Product Name:	4-Methyloxazolidin-2-one
CAS:	16112-59-7
Synonyms:	4-methyl-2-oxazolidinone; 4-methyl-1,3-oxazolidin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-methyl-1,3-oxazolidin-2-one
Description:	4-Methyloxazolidin-2-one (CAS# 16112-59-7) is derived from DL-Alaninol (A628760), which is a chemical reagent used in organic synthesis. Used in the preparation of polyunsaturated fatty acid amides showing anti-proliferative properties.
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)
InChI Key:	VAJFEOKPKHIPEN-UHFFFAOYSA-N
Boiling Point:	266.2 °C at 760 mmHg
Density:	1.157 g/cm³
MDL:	MFCD20502409
LogP:	0.44350

Publication Number	Title	Priority Date
WO-2021122249-A1	Synthesis of n-vinyl compounds by reacting cylic nh-compounds with acetylene in presence of homogenous catalyst	20191220
US-2020392154-A1	Pyridine carbamates and their use as glun2b receptor modulators	20190614
WO-2020249799-A1	Pyridine carbamates and their use as glun2b receptor modulators	20190614
WO-2020139988-A1	Compositions for inhibiting ubiquitin specific protease 1	20181228
BR-112019017171-A2	1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof	20171220

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Complexity:	91.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2