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

• ChemBase ID: 781961
• Molecular Formular: C14H14N6O4
• Molecular Mass: 330.29876
• Monoisotopic Mass: 330.10765296
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC(c1nc(no1)c1cnccc1)C
• Canonical SMILES: O=C(NC(c1onc(n1)c1cccnc1)C)CN1C(=O)CNC1=O
• InChI: InChI=1S/C14H14N6O4/c1-8(17-10(21)7-20-11(22)6-16-14(20)23)13-18-12(19-24-13)9-3-2-4-15-5-9/h2-5,8H,6-7H2,1H3,(H,16,23)(H,17,21)
• InChIKey: IDOYOSYHCYWEJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.40852
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.73220724
• LogD (pH = 7.4): -0.7265471
• Log P: -0.72643286
• Molar Refractivity: 91.0501 cm^3
• Polarizability: 30.778624 Å^3
• Polar Surface Area: 130.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -0.63
• LOG S: -2.38
• Polar Surface Area: 130.32 Å^2
• Rotatable Bonds: 5