3-{2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]ethyl}-1,3-oxazolidin-2-one

• ChemBase ID: 527882
• Molecular Formular: C11H16N4O3
• Molecular Mass: 252.26974
• Monoisotopic Mass: 252.12224039
• SMILES: o1c(nnc1NCCN1C(=O)OCC1)C1CCC1
• Canonical SMILES: O=C1OCCN1CCNc1nnc(o1)C1CCC1
• InChI: InChI=1S/C11H16N4O3/c16-11-15(6-7-17-11)5-4-12-10-14-13-9(18-10)8-2-1-3-8/h8H,1-7H2,(H,12,14)
• InChIKey: KWKNCEGMXHWJRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.405122
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15244704
• LogD (pH = 7.4): 0.15240756
• Log P: 0.15244834
• Molar Refractivity: 65.0365 cm^3
• Polarizability: 23.668165 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.23
• LOG S: -1.83
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5