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

• ChemBase ID: 846010
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: n1nc(oc1CCc1c[nH]c2c1cccc2)CCC(=O)NC1CCC1
• Canonical SMILES: O=C(NC1CCC1)CCc1nnc(o1)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H22N4O2/c24-17(21-14-4-3-5-14)9-11-19-23-22-18(25-19)10-8-13-12-20-16-7-2-1-6-15(13)16/h1-2,6-7,12,14,20H,3-5,8-11H2,(H,21,24)
• InChIKey: MHLFKFDLDCGWNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.022946
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7302148
• LogD (pH = 7.4): 1.7302148
• Log P: 1.7302148
• Molar Refractivity: 95.6988 cm^3
• Polarizability: 37.12425 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.21
• LOG S: -4.91
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 7