3-({3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl}methoxy)pyridine

• ChemBase ID: 391032
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: n1c(noc1COc1cnccc1)CC1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)Cc1noc(n1)COc1cccnc1
• InChI: InChI=1S/C15H20N4O2/c1-19-7-4-12(5-8-19)9-14-17-15(21-18-14)11-20-13-3-2-6-16-10-13/h2-3,6,10,12H,4-5,7-9,11H2,1H3
• InChIKey: UAQYJWBPBFZWBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl}methoxy)pyridine
• IUPAC Traditional name: 3-({3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl}methoxy)pyridine
• Synonyms: 3-({3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl}methoxy)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.8498864
• LogD (pH = 7.4): -0.07413819
• Log P: 1.3837059
• Molar Refractivity: 79.8458 cm^3
• Polarizability: 30.27532 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.2
• LOG S: -1.32
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5