N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,2-oxazolidin-2-yl)propanamide

• ChemBase ID: 370231
• Molecular Formular: C15H21FN2O2
• Molecular Mass: 280.3378432
• Monoisotopic Mass: 280.15870614
• SMILES: N(C(=O)CCN1OCCC1)(C(c1ccc(cc1)F)C)C
• Canonical SMILES: Fc1ccc(cc1)C(N(C(=O)CCN1CCCO1)C)C
• InChI: InChI=1S/C15H21FN2O2/c1-12(13-4-6-14(16)7-5-13)17(2)15(19)8-10-18-9-3-11-20-18/h4-7,12H,3,8-11H2,1-2H3
• InChIKey: YRPBQWKKJSTPHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,2-oxazolidin-2-yl)propanamide
• IUPAC Traditional name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,2-oxazolidin-2-yl)propanamide
• Synonyms: N-[1-(4-fluorophenyl)ethyl]-3-isoxazolidin-2-yl-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3306519
• LogD (pH = 7.4): 1.3308227
• Log P: 1.330825
• Molar Refractivity: 75.4841 cm^3
• Polarizability: 29.269598 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.9
• LOG S: -2.01
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5