3-(2-fluorophenyl)-1-(1,2-oxazolidin-2-yl)-3-phenylpropan-1-one

• ChemBase ID: 573120
• Molecular Formular: C18H18FNO2
• Molecular Mass: 299.3394232
• Monoisotopic Mass: 299.13215704
• SMILES: C(=O)(N1OCCC1)CC(c1c(F)cccc1)c1ccccc1
• Canonical SMILES: O=C(N1CCCO1)CC(c1ccccc1F)c1ccccc1
• InChI: InChI=1S/C18H18FNO2/c19-17-10-5-4-9-15(17)16(14-7-2-1-3-8-14)13-18(21)20-11-6-12-22-20/h1-5,7-10,16H,6,11-13H2
• InChIKey: NUGCRZGDCJZPIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-1-(1,2-oxazolidin-2-yl)-3-phenylpropan-1-one
• IUPAC Traditional name: 3-(2-fluorophenyl)-1-(1,2-oxazolidin-2-yl)-3-phenylpropan-1-one
• Synonyms: 2-[3-(2-fluorophenyl)-3-phenylpropanoyl]isoxazolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.299035
• LogD (pH = 7.4): 3.299035
• Log P: 3.299035
• Molar Refractivity: 82.6888 cm^3
• Polarizability: 31.793276 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.61
• LOG S: -4.37
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4