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

• ChemBase ID: 361660
• Molecular Formular: C22H21FN4O2
• Molecular Mass: 392.4261432
• Monoisotopic Mass: 392.16485415
• SMILES: n1nc(oc1Cc1c[nH]c2c1cccc2)CCC(=O)NCCc1cc(F)ccc1
• Canonical SMILES: O=C(CCc1nnc(o1)Cc1c[nH]c2c1cccc2)NCCc1cccc(c1)F
• InChI: InChI=1S/C22H21FN4O2/c23-17-5-3-4-15(12-17)10-11-24-20(28)8-9-21-26-27-22(29-21)13-16-14-25-19-7-2-1-6-18(16)19/h1-7,12,14,25H,8-11,13H2,(H,24,28)
• InChIKey: FHLHWUGIKSWIKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.531187
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5313492
• LogD (pH = 7.4): 2.5313492
• Log P: 2.5313492
• Molar Refractivity: 108.8696 cm^3
• Polarizability: 41.65187 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: 1.16
• LOG S: -5.93
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 8