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

• ChemBase ID: 472710
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: n1c(noc1c1cnc(N2CCC(CC2)OC)cc1)c1cc(Cl)ccc1
• Canonical SMILES: COC1CCN(CC1)c1ccc(cn1)c1onc(n1)c1cccc(c1)Cl
• InChI: InChI=1S/C19H19ClN4O2/c1-25-16-7-9-24(10-8-16)17-6-5-14(12-21-17)19-22-18(23-26-19)13-3-2-4-15(20)11-13/h2-6,11-12,16H,7-10H2,1H3
• InChIKey: LMKPFNWNXQDWFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 0
• Log P: 3.45
• LOG S: -5.53
• Polar Surface Area: 64.28 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.189977
• LogD (pH = 7.4): 4.272582
• Log P: 4.273749
• Molar Refractivity: 123.0523 cm^3
• Polarizability: 39.11743 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 4