3-{[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-oxazolidin-2-one

• ChemBase ID: 443279
• Molecular Formular: C10H13N3O4
• Molecular Mass: 239.22792
• Monoisotopic Mass: 239.09060591
• SMILES: n1c(noc1CN1C(=O)OCC1)C1COCC1
• Canonical SMILES: O=C1OCCN1Cc1onc(n1)C1CCOC1
• InChI: InChI=1S/C10H13N3O4/c14-10-13(2-4-16-10)5-8-11-9(12-17-8)7-1-3-15-6-7/h7H,1-6H2
• InChIKey: KJMGGYZPINHFNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-{[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-oxazolidin-2-one
• Synonyms: 3-{[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.18081167
• LogD (pH = 7.4): 0.18081167
• Log P: 0.18081167
• Molar Refractivity: 57.0897 cm^3
• Polarizability: 21.442848 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.75
• LOG S: -1.61
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 3