2-({2-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-1H-imidazol-1-yl}methyl)pyridine

• ChemBase ID: 727158
• Molecular Formular: C18H22N6O
• Molecular Mass: 338.40688
• Monoisotopic Mass: 338.18550935
• SMILES: c1(nc(on1)CC)N1CCC(c2n(ccn2)Cc2ncccc2)CC1
• Canonical SMILES: CCc1onc(n1)N1CCC(CC1)c1nccn1Cc1ccccn1
• InChI: InChI=1S/C18H22N6O/c1-2-16-21-18(22-25-16)23-10-6-14(7-11-23)17-20-9-12-24(17)13-15-5-3-4-8-19-15/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3
• InChIKey: DQFFUWMZSZZLJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-1H-imidazol-1-yl}methyl)pyridine
• IUPAC Traditional name: 2-({2-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]imidazol-1-yl}methyl)pyridine
• Synonyms: 2-({2-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-1H-imidazol-1-yl}methyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3049994
• LogD (pH = 7.4): 2.2210746
• Log P: 2.3479476
• Molar Refractivity: 96.1382 cm^3
• Polarizability: 35.45871 Å^3
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.28
• LOG S: -1.92
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 5