3-(2-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione

• ChemBase ID: 515951
• Molecular Formular: C17H24N4O6
• Molecular Mass: 380.39566
• Monoisotopic Mass: 380.16958451
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N1C(c2nc(no2)CCOC)CCCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCCN1C(=O)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C17H24N4O6/c1-17(2)15(23)21(16(24)26-17)10-13(22)20-8-5-4-6-11(20)14-18-12(19-27-14)7-9-25-3/h11H,4-10H2,1-3H3
• InChIKey: LJITVZLAVCERKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• IUPAC Traditional name: 3-(2-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• Synonyms: 3-(2-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.973767
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.7419682
• LogD (pH = 7.4): 0.7419682
• Log P: 0.7419682
• Molar Refractivity: 93.1206 cm^3
• Polarizability: 35.635284 Å^3
• Polar Surface Area: 115.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 0.43
• LOG S: -2.34
• Polar Surface Area: 115.07 Å^2
• Rotatable Bonds: 6