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

• ChemBase ID: 817559
• Molecular Formular: C24H23N5O2
• Molecular Mass: 413.47172
• Monoisotopic Mass: 413.185175
• SMILES: n1nc(oc1Cc1c[nH]c2c1cccc2)CCC(=O)NCCn1ccc2c1cccc2
• Canonical SMILES: O=C(CCc1nnc(o1)Cc1c[nH]c2c1cccc2)NCCn1ccc2c1cccc2
• InChI: InChI=1S/C24H23N5O2/c30-22(25-12-14-29-13-11-17-5-1-4-8-21(17)29)9-10-23-27-28-24(31-23)15-18-16-26-20-7-3-2-6-19(18)20/h1-8,11,13,16,26H,9-10,12,14-15H2,(H,25,30)
• InChIKey: LNVDOGDBLLWHMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.2215185
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.499672
• LogD (pH = 7.4): 2.499672
• Log P: 2.499672
• Molar Refractivity: 119.3578 cm^3
• Polarizability: 47.223724 Å^3
• Polar Surface Area: 88.74 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.7
• LOG S: -6.38
• Polar Surface Area: 88.74 Å^2
• Rotatable Bonds: 8