4-(2,4-dioxoimidazolidin-1-yl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}benzamide

• ChemBase ID: 404514
• Molecular Formular: C15H15N5O5
• Molecular Mass: 345.3101
• Monoisotopic Mass: 345.10731861
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCOc2nonc2C)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CC(=O)NC1=O)NCCOc1nonc1C
• InChI: InChI=1S/C15H15N5O5/c1-9-14(19-25-18-9)24-7-6-16-13(22)10-2-4-11(5-3-10)20-8-12(21)17-15(20)23/h2-5H,6-8H2,1H3,(H,16,22)(H,17,21,23)
• InChIKey: MGNRRVLBCNBEMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.5356642
• LogD (pH = 7.4): -0.5447429
• Log P: -0.535547
• Molar Refractivity: 85.5233 cm^3
• Polarizability: 31.43059 Å^3
• Polar Surface Area: 126.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -0.37
• LOG S: -2.71
• Polar Surface Area: 126.66 Å^2
• Rotatable Bonds: 6