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

• ChemBase ID: 342488
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(oc(nn1)CC)N1CCC(C(c2ncccc2)O)CC1
• Canonical SMILES: CCc1nnc(o1)N1CCC(CC1)C(c1ccccn1)O
• InChI: InChI=1S/C15H20N4O2/c1-2-13-17-18-15(21-13)19-9-6-11(7-10-19)14(20)12-5-3-4-8-16-12/h3-5,8,11,14,20H,2,6-7,9-10H2,1H3
• InChIKey: PJWVBCKVTIEEOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl](pyridin-2-yl)methanol
• IUPAC Traditional name: [1-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl](pyridin-2-yl)methanol
• Synonyms: [1-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl](pyridin-2-yl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.552011
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1001047
• LogD (pH = 7.4): 1.1488084
• Log P: 1.1494691
• Molar Refractivity: 80.1742 cm^3
• Polarizability: 29.839767 Å^3
• Polar Surface Area: 75.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.14
• LOG S: -1.31
• Polar Surface Area: 75.28 Å^2
• Rotatable Bonds: 4