5-cyclobutyl-N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 537253
• Molecular Formular: C17H22N4O
• Molecular Mass: 298.38278
• Monoisotopic Mass: 298.17936134
• SMILES: o1c(nnc1NCCCN1c2c(CC1)cccc2)C1CCC1
• Canonical SMILES: C1CC(C1)c1nnc(o1)NCCCN1CCc2c1cccc2
• InChI: InChI=1S/C17H22N4O/c1-2-8-15-13(5-1)9-12-21(15)11-4-10-18-17-20-19-16(22-17)14-6-3-7-14/h1-2,5,8,14H,3-4,6-7,9-12H2,(H,18,20)
• InChIKey: FNHLOMBXIRDNHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclobutyl-N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclobutyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclobutyl-N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.060042
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4110646
• LogD (pH = 7.4): 2.467971
• Log P: 2.4687562
• Molar Refractivity: 89.7842 cm^3
• Polarizability: 32.270767 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.81
• LOG S: -4.6
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 6