4-ethyl-1,3-oxazolidin-2-one

• ChemBase ID: 309774
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: C1(=O)NC(CO1)CC
• Canonical SMILES: CCC1COC(=O)N1
• InChI: InChI=1S/C5H9NO2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
• InChIKey: CRHQYASHOICRND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: 4-ethyl-1,3-oxazolidin-2-one
• Synonyms: 4-ethyl-1,3-oxazolidin-2-one

Database IDs

• CAS Number: 16112-60-0
• MDL Number: MFCD00068849

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.58025134
• LogD (pH = 7.4): 0.58025056
• Log P: 0.58025134
• Molar Refractivity: 27.96 cm^3
• Polarizability: 11.166473 Å^3
• Polar Surface Area: 38.33 Å^2