N-methyl-2-[3-oxo-1-(propan-2-yl)piperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

• ChemBase ID: 707295
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: C1(CC(=O)N(Cc2oc(nn2)c2ccccc2)C)N(C(C)C)CCNC1=O
• Canonical SMILES: CC(N1CCNC(=O)C1CC(=O)N(Cc1nnc(o1)c1ccccc1)C)C
• InChI: InChI=1S/C19H25N5O3/c1-13(2)24-10-9-20-18(26)15(24)11-17(25)23(3)12-16-21-22-19(27-16)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,20,26)
• InChIKey: HANXVPIUCOQISC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[3-oxo-1-(propan-2-yl)piperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-(1-isopropyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• Synonyms: 2-(1-isopropyl-3-oxo-2-piperazinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.894161
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3579826
• LogD (pH = 7.4): -0.061971266
• Log P: 0.057955656
• Molar Refractivity: 112.1017 cm^3
• Polarizability: 39.204185 Å^3
• Polar Surface Area: 91.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.58
• LOG S: -0.94
• Polar Surface Area: 91.57 Å^2
• Rotatable Bonds: 5