N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide

• ChemBase ID: 516965
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c12c(non1)ccc(c2)CN(C(=O)CC1N(CCC1)C)C
• Canonical SMILES: CN1CCCC1CC(=O)N(Cc1ccc2c(c1)non2)C
• InChI: InChI=1S/C15H20N4O2/c1-18-7-3-4-12(18)9-15(20)19(2)10-11-5-6-13-14(8-11)17-21-16-13/h5-6,8,12H,3-4,7,9-10H2,1-2H3
• InChIKey: PVLVAEWMCWSMSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
• IUPAC Traditional name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
• Synonyms: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3100839
• LogD (pH = 7.4): -1.0590785
• Log P: 1.0856354
• Molar Refractivity: 80.2883 cm^3
• Polarizability: 31.545868 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.94
• LOG S: -2.11
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4