(1-{5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidin-2-yl)methanol

• ChemBase ID: 430905
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: n1c(onc1c1ccc(cc1)OC)c1cnc(N2C(CO)CCCC2)cc1
• Canonical SMILES: OCC1CCCCN1c1ccc(cn1)c1onc(n1)c1ccc(cc1)OC
• InChI: InChI=1S/C20H22N4O3/c1-26-17-8-5-14(6-9-17)19-22-20(27-23-19)15-7-10-18(21-12-15)24-11-3-2-4-16(24)13-25/h5-10,12,16,25H,2-4,11,13H2,1H3
• InChIKey: BGTUJASSBOBWEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidin-2-yl)methanol
• IUPAC Traditional name: (1-{5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidin-2-yl)methanol
• Synonyms: (1-{5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-piperidinyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.096833
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.6887362
• LogD (pH = 7.4): 3.7622974
• Log P: 3.763325
• Molar Refractivity: 124.3397 cm^3
• Polarizability: 39.69011 Å^3
• Polar Surface Area: 84.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.45
• LOG S: -4.99
• Polar Surface Area: 84.51 Å^2
• Rotatable Bonds: 4