N-[1-(6-methylpyridin-2-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 866286
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: c1(oc(nn1)CCC)NC(c1nc(ccc1)C)CC
• Canonical SMILES: CCCc1nnc(o1)NC(c1cccc(n1)C)CC
• InChI: InChI=1S/C14H20N4O/c1-4-7-13-17-18-14(19-13)16-11(5-2)12-9-6-8-10(3)15-12/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,18)
• InChIKey: HAKWBPUFCDYMFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(6-methylpyridin-2-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-[1-(6-methylpyridin-2-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
• Synonyms: N-[1-(6-methylpyridin-2-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.203652
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1892538
• LogD (pH = 7.4): 2.1843483
• Log P: 2.1908123
• Molar Refractivity: 75.8622 cm^3
• Polarizability: 28.007492 Å^3
• Polar Surface Area: 63.84 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: 2.28
• LOG S: -1.75
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 6