1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

• ChemBase ID: 420009
• Molecular Formular: C15H19N3O
• Molecular Mass: 257.33086
• Monoisotopic Mass: 257.15281224
• SMILES: n1c(onc1Cc1ccccc1)CN1CCCCC1
• Canonical SMILES: C1CCN(CC1)Cc1onc(n1)Cc1ccccc1
• InChI: InChI=1S/C15H19N3O/c1-3-7-13(8-4-1)11-14-16-15(19-17-14)12-18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-12H2
• InChIKey: OCVAKOIAFYSAGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
• IUPAC Traditional name: 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
• Synonyms: 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4597839
• LogD (pH = 7.4): 2.849195
• Log P: 3.005433
• Molar Refractivity: 76.0321 cm^3
• Polarizability: 28.632769 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.36
• LOG S: -2.08
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4