N-[2-methyl-2-(piperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 643816
• Molecular Formular: C14H26N4O
• Molecular Mass: 266.38244
• Monoisotopic Mass: 266.21066147
• SMILES: c1(oc(nn1)CCC)NCC(N1CCCCC1)(C)C
• Canonical SMILES: CCCc1nnc(o1)NCC(N1CCCCC1)(C)C
• InChI: InChI=1S/C14H26N4O/c1-4-8-12-16-17-13(19-12)15-11-14(2,3)18-9-6-5-7-10-18/h4-11H2,1-3H3,(H,15,17)
• InChIKey: FROJBGCMJMBUSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-2-(piperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-[2-methyl-2-(piperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
• Synonyms: N-(2-methyl-2-piperidin-1-ylpropyl)-5-propyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.330704
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0208443
• LogD (pH = 7.4): 0.7010246
• Log P: 1.9460453
• Molar Refractivity: 79.5374 cm^3
• Polarizability: 29.394989 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: 4
• H Donor: 1
• Log P: 2.77
• LOG S: -2.5
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 6