1-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]-4-(6-methylpyridin-2-yl)piperazine

• ChemBase ID: 513846
• Molecular Formular: C15H19N5O3
• Molecular Mass: 317.34306
• Monoisotopic Mass: 317.14878949
• SMILES: c1(nnc(o1)COC)C(=O)N1CCN(c2nc(ccc2)C)CC1
• Canonical SMILES: COCc1nnc(o1)C(=O)N1CCN(CC1)c1cccc(n1)C
• InChI: InChI=1S/C15H19N5O3/c1-11-4-3-5-12(16-11)19-6-8-20(9-7-19)15(21)14-18-17-13(23-14)10-22-2/h3-5H,6-10H2,1-2H3
• InChIKey: OPOVKNGDEJEMGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]-4-(6-methylpyridin-2-yl)piperazine
• IUPAC Traditional name: 1-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]-4-(6-methylpyridin-2-yl)piperazine
• Synonyms: 1-{[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]carbonyl}-4-(6-methylpyridin-2-yl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.6849308
• LogD (pH = 7.4): -0.37990206
• Log P: -0.1744389
• Molar Refractivity: 85.5234 cm^3
• Polarizability: 30.99615 Å^3
• Polar Surface Area: 84.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.48
• LOG S: -2.41
• Polar Surface Area: 84.59 Å^2
• Rotatable Bonds: 4