3-(2-{4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 433905
• Molecular Formular: C18H19FN4O4
• Molecular Mass: 374.3662632
• Monoisotopic Mass: 374.13903333
• SMILES: o1c(nnc1C1CCN(C(=O)CN2C(=O)OCC2)CC1)c1ccc(cc1)F
• Canonical SMILES: O=C(N1CCC(CC1)c1nnc(o1)c1ccc(cc1)F)CN1CCOC1=O
• InChI: InChI=1S/C18H19FN4O4/c19-14-3-1-12(2-4-14)16-20-21-17(27-16)13-5-7-22(8-6-13)15(24)11-23-9-10-26-18(23)25/h1-4,13H,5-11H2
• InChIKey: HGLMGTKJLXPZFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-{4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(2-{4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidinyl}-2-oxoethyl)-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 18.388174
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5249016
• LogD (pH = 7.4): 0.5249016
• Log P: 0.5249016
• Molar Refractivity: 104.0946 cm^3
• Polarizability: 35.58891 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 4
• H Acceptors: 6
• H Donor: 0
• Log P: 0.24
• LOG S: -3.44