1-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylpiperazine

• ChemBase ID: 777798
• Molecular Formular: C14H18N4O
• Molecular Mass: 258.31892
• Monoisotopic Mass: 258.14806122
• SMILES: c1(oc(nn1)C)N1CC(N(CC1)C)c1ccccc1
• Canonical SMILES: CN1CCN(CC1c1ccccc1)c1nnc(o1)C
• InChI: InChI=1S/C14H18N4O/c1-11-15-16-14(19-11)18-9-8-17(2)13(10-18)12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3
• InChIKey: IRZAQKBDPPISBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylpiperazine
• IUPAC Traditional name: 1-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylpiperazine
• Synonyms: 1-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.23504671
• LogD (pH = 7.4): 1.2747984
• Log P: 1.5014039
• Molar Refractivity: 75.6591 cm^3
• Polarizability: 27.934834 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.87
• LOG S: -1.35
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 2