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

• ChemBase ID: 618050
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: n1c(onc1CCNC(=O)Cc1c[nH]c2c1cccc2)C1CCCC1
• Canonical SMILES: O=C(Cc1c[nH]c2c1cccc2)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C19H22N4O2/c24-18(11-14-12-21-16-8-4-3-7-15(14)16)20-10-9-17-22-19(25-23-17)13-5-1-2-6-13/h3-4,7-8,12-13,21H,1-2,5-6,9-11H2,(H,20,24)
• InChIKey: JUTPQDVEHIVSQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polarizability: 37.20008 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.224447
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1532652
• LogD (pH = 7.4): 3.1532652
• Log P: 3.1532652
• Molar Refractivity: 95.6517 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 2
• Log P: 1.82
• LOG S: -3.22