2-(3-methoxypiperidin-1-yl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine

• ChemBase ID: 769661
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: n1c(noc1c1cnc(N2CC(OC)CCC2)cc1)c1c(C)cccc1
• Canonical SMILES: COC1CCCN(C1)c1ccc(cn1)c1onc(n1)c1ccccc1C
• InChI: InChI=1S/C20H22N4O2/c1-14-6-3-4-8-17(14)19-22-20(26-23-19)15-9-10-18(21-12-15)24-11-5-7-16(13-24)25-2/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3
• InChIKey: YEAAKYYXKOPUGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypiperidin-1-yl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine
• IUPAC Traditional name: 2-(3-methoxypiperidin-1-yl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine
• Synonyms: 2-(3-methoxy-1-piperidinyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.53219
• LogD (pH = 7.4): 4.6107516
• Log P: 4.611856
• Molar Refractivity: 123.0679 cm^3
• Polarizability: 39.012833 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.61
• LOG S: -4.97
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 3