5-Methyl-2-oxazolidinone - CAS 1072-70-4

Catalog:	BB002015
Product Name:	5-Methyl-2-oxazolidinone
CAS:	1072-70-4
Synonyms:	5-methyl-2-oxazolidinone; 5-methyl-1,3-oxazolidin-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-methyl-1,3-oxazolidin-2-one
Description:	5-Methyl-2-oxazolidinone (CAS# 1072-70-4) is a useful research chemical.
Molecular Weight:	101.10
Molecular Formula:	C4H7NO2
Canonical SMILES:	CC1CNC(=O)O1
InChI:	InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)
InChI Key:	HBRXQSHUXIJOKV-UHFFFAOYSA-N
Boiling Point:	302.6 °C at 760 mmHg
Density:	1.095 g/cm³
MDL:	MFCD00068871
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
US-2020392155-A1	Pyrazine carbamates and their use as glun2b receptor modulators	20190614
WO-2020249799-A1	Pyridine carbamates and their use as glun2b receptor modulators	20190614
WO-2019185476-A1	Modified cyclic dinucleotide compounds	20180327

PMID	Publication Date	Title	Journal
23072323	20121106	Mechanism of N6-threonylcarbamoyladenonsine (t(6)A) biosynthesis: isolation and characterization of the intermediate threonylcarbamoyl-AMP	Biochemistry
21580161	20091204	Ammonium hydrogen (RS)-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)meth-yl]phospho-nate	Acta crystallographica. Section E, Structure reports online
11430089	20010209	Synthesis of oligomers of trans-(4S,5R)-4-carboxybenzyl 5-methyl oxazolidin-2-one: an approach to new foldamers	The Journal of organic chemistry

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P280, P305+P351+P338, and P310
Signal Word:	Danger

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 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2