N-methyl-4-(4-methylpiperazin-1-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

• ChemBase ID: 516443
• Molecular Formular: C17H23N5O2
• Molecular Mass: 329.39682
• Monoisotopic Mass: 329.185175
• SMILES: n1c(noc1)CCN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C
• Canonical SMILES: CN1CCN(CC1)c1ccc(cc1)C(=O)N(CCc1nocn1)C
• InChI: InChI=1S/C17H23N5O2/c1-20-9-11-22(12-10-20)15-5-3-14(4-6-15)17(23)21(2)8-7-16-18-13-24-19-16/h3-6,13H,7-12H2,1-2H3
• InChIKey: KXRHVVGYQBVKSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(4-methylpiperazin-1-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
• IUPAC Traditional name: N-methyl-4-(4-methylpiperazin-1-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
• Synonyms: N-methyl-4-(4-methylpiperazin-1-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.81975883
• LogD (pH = 7.4): 0.9090549
• Log P: 1.4293697
• Molar Refractivity: 94.8473 cm^3
• Polarizability: 34.551502 Å^3
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.07
• LOG S: -2.85
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 5