2-(2,5-dioxoimidazolidin-1-yl)-N-{1-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl}acetamide

• ChemBase ID: 734498
• Molecular Formular: C12H17N5O4
• Molecular Mass: 295.29448
• Monoisotopic Mass: 295.12805405
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC(c1oc(nn1)C(C)C)C
• Canonical SMILES: O=C(NC(c1nnc(o1)C(C)C)C)CN1C(=O)CNC1=O
• InChI: InChI=1S/C12H17N5O4/c1-6(2)10-15-16-11(21-10)7(3)14-8(18)5-17-9(19)4-13-12(17)20/h6-7H,4-5H2,1-3H3,(H,13,20)(H,14,18)
• InChIKey: NKCBXBSPPCUMMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-{1-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl}acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(5-isopropyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(5-isopropyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.073129
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.6173984
• LogD (pH = 7.4): -1.6174868
• Log P: -1.6173973
• Molar Refractivity: 71.7475 cm^3
• Polarizability: 26.906391 Å^3
• Polar Surface Area: 117.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.19
• LOG S: -1.65
• Polar Surface Area: 117.43 Å^2
• Rotatable Bonds: 5