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

• ChemBase ID: 717865
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: n1c(onc1COC)c1cnc(N2CC(CO)CCC2)cc1
• Canonical SMILES: COCc1noc(n1)c1ccc(nc1)N1CCCC(C1)CO
• InChI: InChI=1S/C15H20N4O3/c1-21-10-13-17-15(22-18-13)12-4-5-14(16-7-12)19-6-2-3-11(8-19)9-20/h4-5,7,11,20H,2-3,6,8-10H2,1H3
• InChIKey: IZVQEHGNULGUER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.430691
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.4538002
• LogD (pH = 7.4): 1.5362103
• Log P: 1.5373743
• Molar Refractivity: 93.8822 cm^3
• Polarizability: 31.305367 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: 0.46
• LOG S: -3.45
• Polar Surface Area: 84.51 Å^2
• Rotatable Bonds: 4