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

• ChemBase ID: 703463
• Molecular Formular: C15H15N5O4
• Molecular Mass: 329.3107
• Monoisotopic Mass: 329.11240399
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCc1nc(on1)c1ccccc1
• Canonical SMILES: O=C(NCc1noc(n1)c1ccccc1)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C15H15N5O4/c21-12(7-6-10-13(22)19-15(23)17-10)16-8-11-18-14(24-20-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,21)(H2,17,19,22,23)
• InChIKey: FNEJVVNBMUPQPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.632625
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.3870115
• LogD (pH = 7.4): 0.38453075
• Log P: 0.38704324
• Molar Refractivity: 92.8903 cm^3
• Polarizability: 31.61601 Å^3
• Polar Surface Area: 126.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -0.52
• LOG S: -2.47
• Polar Surface Area: 126.22 Å^2
• Rotatable Bonds: 6