N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 503096
• Molecular Formular: C16H20N4O4
• Molecular Mass: 332.3544
• Monoisotopic Mass: 332.14845514
• SMILES: C1(C(=O)N(Cc2cc3c(non3)cc2)C)CN(C(=O)C1)CCOC
• Canonical SMILES: COCCN1CC(CC1=O)C(=O)N(Cc1ccc2c(c1)non2)C
• InChI: InChI=1S/C16H20N4O4/c1-19(9-11-3-4-13-14(7-11)18-24-17-13)16(22)12-8-15(21)20(10-12)5-6-23-2/h3-4,7,12H,5-6,8-10H2,1-2H3
• InChIKey: XRSDJXCAUTUMSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
• Synonyms: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.3093515
• LogD (pH = 7.4): -0.30935144
• Log P: -0.30935144
• Molar Refractivity: 86.589 cm^3
• Polarizability: 33.808193 Å^3
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.26
• LOG S: -2.71
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 6