5-methyl-1,3-oxazolidin-2-one

• ChemBase ID: 238888
• Molecular Formular: C4H7NO2
• Molecular Mass: 101.10388
• Monoisotopic Mass: 101.04767847
• SMILES: C1(=O)NCC(O1)C
• Canonical SMILES: CC1CNC(=O)O1
• InChI: InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)
• InChIKey: HBRXQSHUXIJOKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5-methyl-1,3-oxazolidin-2-one
• Synonyms: 5-methyl-1,3-oxazolidin-2-one

Database IDs

• CAS Number: 1072-70-4
• MDL Number: MFCD00068871
• PubChem SID: 164294798
• PubChem CID: 136837

CALCULATED PROPERTIES

• Acid pKa: 13.136284
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.057728946
• LogD (pH = 7.4): 0.05772825
• Log P: 0.057728954
• Molar Refractivity: 23.436 cm^3
• Polarizability: 9.348352 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.243

Product Information

• Purity: 95%