5-(Hydroxymethyl)oxazolidin-2-one - CAS 7517-99-9

Catalog:	BB035263
Product Name:	5-(Hydroxymethyl)oxazolidin-2-one
CAS:	7517-99-9
Synonyms:	5-(hydroxymethyl)-2-oxazolidinone; 5-(hydroxymethyl)-1,3-oxazolidin-2-one

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	5-(hydroxymethyl)-1,3-oxazolidin-2-one
Description:	5-(Hydroxymethyl)oxazolidin-2-one (CAS# 7517-99-9) is a useful research chemical.
Molecular Weight:	117.10
Molecular Formula:	C4H7NO3
Canonical SMILES:	C1C(OC(=O)N1)CO
InChI:	InChI=1S/C4H7NO3/c6-2-3-1-5-4(7)8-3/h3,6H,1-2H2,(H,5,7)
InChI Key:	LSYOFPBORRARMF-UHFFFAOYSA-N
LogP:	-0.58410

Publication Number	Title	Priority Date
CN-113461629-A	Preparation method of 5-hydroxymethyl-oxazolidine-2-ketone compound	20210701
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
CN-110934880-A	Compositions containing mixtures of phenyl oxazolidinone derivatives and uses thereof	20191223
CN-112409286-A	Synthesis method of N-substituted phenyl-5-hydroxymethyl-2-oxazolidinone	20190820
WO-2021026179-A1	AGONISTS OF ROR GAMMAt	20190806

PMID	Publication Date	Title	Journal
21292356	20110401	Discovery of torezolid as a novel 5-hydroxymethyl-oxazolidinone antibacterial agent	European journal of medicinal chemistry
19441931	20090401	5-Hydroxymethyl-oxazolidin-2-one antibacterials. Actelion Pharmaceuticals: WO2008062379	Expert opinion on therapeutic patents

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	117.042593085
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	117.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9