N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 470413
• Molecular Formular: C23H23FN4O2
• Molecular Mass: 406.4527232
• Monoisotopic Mass: 406.18050422
• SMILES: n1nc(oc1Cc1c[nH]c2c1cccc2)CCC(=O)NC(c1ccc(cc1)F)CC
• Canonical SMILES: CCC(c1ccc(cc1)F)NC(=O)CCc1nnc(o1)Cc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H23FN4O2/c1-2-19(15-7-9-17(24)10-8-15)26-21(29)11-12-22-27-28-23(30-22)13-16-14-25-20-6-4-3-5-18(16)20/h3-10,14,19,25H,2,11-13H2,1H3,(H,26,29)
• InChIKey: WRGFNIYJISIIBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.324179
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1817853
• LogD (pH = 7.4): 3.1817853
• Log P: 3.1817856
• Molar Refractivity: 113.0574 cm^3
• Polarizability: 43.48911 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.93
• LOG S: -6.16
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 7