5-cyclobutyl-N-[3-(pyridin-3-yloxy)propyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 651198
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: o1c(nnc1NCCCOc1cnccc1)C1CCC1
• Canonical SMILES: C(COc1cccnc1)CNc1nnc(o1)C1CCC1
• InChI: InChI=1S/C14H18N4O2/c1-4-11(5-1)13-17-18-14(20-13)16-8-3-9-19-12-6-2-7-15-10-12/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18)
• InChIKey: JNKNCSBIYNELTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclobutyl-N-[3-(pyridin-3-yloxy)propyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclobutyl-N-[3-(pyridin-3-yloxy)propyl]-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclobutyl-N-[3-(pyridin-3-yloxy)propyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.009766
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.87561804
• LogD (pH = 7.4): 0.9444976
• Log P: 0.9454802
• Molar Refractivity: 76.3523 cm^3
• Polarizability: 28.067019 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.71
• LOG S: -2.95
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 7