N-[3-(1H-indol-1-yl)propyl]-3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide

• ChemBase ID: 502759
• Molecular Formular: C25H28N4O3
• Molecular Mass: 432.51482
• Monoisotopic Mass: 432.21614078
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)NCCCn1ccc2c1cccc2
• Canonical SMILES: COc1ccc(cc1)CCc1nnc(o1)CCC(=O)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C25H28N4O3/c1-31-21-10-7-19(8-11-21)9-13-24-27-28-25(32-24)14-12-23(30)26-16-4-17-29-18-15-20-5-2-3-6-22(20)29/h2-3,5-8,10-11,15,18H,4,9,12-14,16-17H2,1H3,(H,26,30)
• InChIKey: RXVZBIUTXJPQPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.359869
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.747767
• LogD (pH = 7.4): 2.747767
• Log P: 2.747767
• Molar Refractivity: 124.2009 cm^3
• Polarizability: 48.125793 Å^3
• Polar Surface Area: 82.18 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.23
• LOG S: -6.58
• Polar Surface Area: 82.18 Å^2
• Rotatable Bonds: 10