2-(4-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]ethan-1-ol

• ChemBase ID: 388259
• Molecular Formular: C13H16FN3O2
• Molecular Mass: 265.2834432
• Monoisotopic Mass: 265.12265499
• SMILES: c1(oc(nn1)CCC)NC(c1ccc(cc1)F)CO
• Canonical SMILES: OCC(c1ccc(cc1)F)Nc1nnc(o1)CCC
• InChI: InChI=1S/C13H16FN3O2/c1-2-3-12-16-17-13(19-12)15-11(8-18)9-4-6-10(14)7-5-9/h4-7,11,18H,2-3,8H2,1H3,(H,15,17)
• InChIKey: SDKVMHCFGRLNJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-(4-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]ethanol
• Synonyms: 2-(4-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.868071
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6165456
• LogD (pH = 7.4): 1.6029233
• Log P: 1.6167231
• Molar Refractivity: 71.1108 cm^3
• Polarizability: 25.658337 Å^3
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.83
• LOG S: -2.7
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 6