2-Oxazolidinone - CAS 497-25-6

Name: 2-Oxazolidinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1,3-oxazolidin-2-one
Description:	2-Oxazolidinone (CAS# 497-25-6) is also used in the preparation of compounds with antitumor activity. A metabolite of Furazolidone (F864100).
Molecular Weight:	87.08
Molecular Formula:	C3H5NO2
Canonical SMILES:	C1COC(=O)N1
InChI:	InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
InChI Key:	IZXIZTKNFFYFOF-UHFFFAOYSA-N
Boiling Point:	220 °C (48 mmHg)
Melting Point:	86-89 °C
Purity:	98 %
Density:	1.204 g/cm³
Solubility:	>13.1 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Yellow-beige crystalline powder.
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00005268
LogP:	0.05500

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P317, P362+P364, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113480435-A	Method for aminolysis of tar residues and recovery of organic resources	20210806
CN-113480714-A	Epoxy resin modified polyurethane reinforcing material and preparation method thereof	20210729
CN-113248471-A	Preparation method of zolamide drug intermediate and intermediate thereof	20210705
CN-113248471-B	Preparation method of zolamide drug intermediate and intermediate thereof	20210705
CN-113354620-A	Efficient preparation method of tedizolid intermediate and intermediate thereof	20210705

PMID	Publication Date	Title	Journal
34375108	20210923	Invention of MK-8262, a Cholesteryl Ester Transfer Protein (CETP) Inhibitor Backup to Anacetrapib with Best-in-Class Properties	Journal of medicinal chemistry
34498872	20210923	Toward a Best-in-Class Inhibitor of Cholesteryl Ester Transfer Protein (CETP)	Journal of medicinal chemistry
33913699	20210517	Nonclinical Evaluation of Antibacterial Oxazolidinones Contezolid and Contezolid Acefosamil with Low Serotonergic Neurotoxicity	Chemical research in toxicology
31675166	20200107	Synthesis and Structure-Activity Relationships of N-(4-Benzamidino)-Oxazolidinones: Potent and Selective Inhibitors of Kallikrein-Related Peptidase 6	ChemMedChem
31129132	20190801	Zolmitriptan attenuates hepatocellular carcinoma via activation of caspase mediated apoptosis	Chemico-biological interactions

Complexity:	71.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	87.03202840200001
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	87.03202840200001
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3