3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(pyridin-4-yl)propan-2-yl]propanamide

• ChemBase ID: 337827
• Molecular Formular: C19H19FN4O2
• Molecular Mass: 354.3781632
• Monoisotopic Mass: 354.14920409
• SMILES: c1(nc(on1)CCC(=O)NC(Cc1ccncc1)C)c1c(F)cccc1
• Canonical SMILES: O=C(NC(Cc1ccncc1)C)CCc1onc(n1)c1ccccc1F
• InChI: InChI=1S/C19H19FN4O2/c1-13(12-14-8-10-21-11-9-14)22-17(25)6-7-18-23-19(24-26-18)15-4-2-3-5-16(15)20/h2-5,8-11,13H,6-7,12H2,1H3,(H,22,25)
• InChIKey: JVDCXSIUBGSPJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(pyridin-4-yl)propan-2-yl]propanamide
• IUPAC Traditional name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(pyridin-4-yl)propan-2-yl]propanamide
• Synonyms: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methyl-2-pyridin-4-ylethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.457139
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8025665
• LogD (pH = 7.4): 2.917981
• Log P: 2.919728
• Molar Refractivity: 105.984 cm^3
• Polarizability: 36.350323 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.29
• LOG S: -1.59
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 7