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

• ChemBase ID: 353577
• Molecular Formular: C21H21N5O2
• Molecular Mass: 375.42374
• Monoisotopic Mass: 375.16952494
• SMILES: n1c(noc1CCC(=O)NCCCn1ccc2c1cccc2)c1ccncc1
• Canonical SMILES: O=C(CCc1onc(n1)c1ccncc1)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C21H21N5O2/c27-19(6-7-20-24-21(25-28-20)17-8-12-22-13-9-17)23-11-3-14-26-15-10-16-4-1-2-5-18(16)26/h1-2,4-5,8-10,12-13,15H,3,6-7,11,14H2,(H,23,27)
• InChIKey: LKFCFAKLIFAFSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.40663
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5841348
• LogD (pH = 7.4): 2.5846841
• Log P: 2.584691
• Molar Refractivity: 116.9188 cm^3
• Polarizability: 41.875835 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.81
• LOG S: -4.34
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 8