2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide

• ChemBase ID: 604628
• Molecular Formular: C19H21N5O4
• Molecular Mass: 383.40114
• Monoisotopic Mass: 383.15935418
• SMILES: N1(C(=O)N(CC1=O)C)c1cc(NC(=O)N2C(c3noc(c3)C)CCC2)ccc1
• Canonical SMILES: Cc1onc(c1)C1CCCN1C(=O)Nc1cccc(c1)N1C(=O)CN(C1=O)C
• InChI: InChI=1S/C19H21N5O4/c1-12-9-15(21-28-12)16-7-4-8-23(16)18(26)20-13-5-3-6-14(10-13)24-17(25)11-22(2)19(24)27/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,20,26)
• InChIKey: YJIVZWSVRZDQPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
• IUPAC Traditional name: 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
• Synonyms: N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methylisoxazol-3-yl)pyrrolidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.698574
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9944114
• LogD (pH = 7.4): 0.9944104
• Log P: 0.99441254
• Molar Refractivity: 101.9186 cm^3
• Polarizability: 37.617496 Å^3
• Polar Surface Area: 98.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.58
• LOG S: -2.81
• Polar Surface Area: 98.99 Å^2
• Rotatable Bonds: 3