1-{2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]ethyl}imidazolidin-2-one

• ChemBase ID: 861400
• Molecular Formular: C11H19N5O2
• Molecular Mass: 253.30086
• Monoisotopic Mass: 253.15387487
• SMILES: o1c(nnc1NCCN1C(=O)NCC1)C(C)(C)C
• Canonical SMILES: CC(c1nnc(o1)NCCN1CCNC1=O)(C)C
• InChI: InChI=1S/C11H19N5O2/c1-11(2,3)8-14-15-9(18-8)12-4-6-16-7-5-13-10(16)17/h4-7H2,1-3H3,(H,12,15)(H,13,17)
• InChIKey: DERZKCQYOYRQKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]ethyl}imidazolidin-2-one
• IUPAC Traditional name: 1-{2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]ethyl}imidazolidin-2-one
• Synonyms: 1-{2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]ethyl}imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.369712
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.0015425717
• LogD (pH = 7.4): -0.0015848853
• Log P: -0.0015407207
• Molar Refractivity: 68.6885 cm^3
• Polarizability: 24.786642 Å^3
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.49
• LOG S: -2.55
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 5