3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-oxazolidin-2-one

• ChemBase ID: 547254
• Molecular Formular: C15H18FN3O3
• Molecular Mass: 307.3201232
• Monoisotopic Mass: 307.13321967
• SMILES: C1(=O)N(CC(=O)N2CCN(c3c(F)cccc3)CC2)CCO1
• Canonical SMILES: O=C(N1CCN(CC1)c1ccccc1F)CN1CCOC1=O
• InChI: InChI=1S/C15H18FN3O3/c16-12-3-1-2-4-13(12)17-5-7-18(8-6-17)14(20)11-19-9-10-22-15(19)21/h1-4H,5-11H2
• InChIKey: SRNSYRAVMYNCFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-oxazolidin-2-one
• Synonyms: 3-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.362806
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8641641
• LogD (pH = 7.4): 0.86416453
• Log P: 0.86416453
• Molar Refractivity: 78.3791 cm^3
• Polarizability: 29.471323 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.95
• LOG S: -1.58
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3