4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

• ChemBase ID: 758748
• Molecular Formular: C20H19N5O3
• Molecular Mass: 377.39656
• Monoisotopic Mass: 377.14878949
• SMILES: n1c(onc1CNC(=O)c1cc(N2C(=O)NCC2)c(cc1)C)c1ccccc1
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NCc1noc(n1)c1ccccc1
• InChI: InChI=1S/C20H19N5O3/c1-13-7-8-15(11-16(13)25-10-9-21-20(25)27)18(26)22-12-17-23-19(28-24-17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,27)(H,22,26)
• InChIKey: BZMFZTICVQONKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
• IUPAC Traditional name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
• Synonyms: 4-methyl-3-(2-oxo-1-imidazolidinyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.440628
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5166311
• LogD (pH = 7.4): 2.5166314
• Log P: 2.5166314
• Molar Refractivity: 114.4986 cm^3
• Polarizability: 38.897057 Å^3
• Polar Surface Area: 100.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.57
• LOG S: -3.29
• Polar Surface Area: 100.36 Å^2
• Rotatable Bonds: 5