3-[3-(4-fluorophenyl)oxolan-3-yl]-5-{imidazo[2,1-b][1,3]thiazol-6-yl}-1,2,4-oxadiazole

• ChemBase ID: 789838
• Molecular Formular: C17H13FN4O2S
• Molecular Mass: 356.3741232
• Monoisotopic Mass: 356.0743249
• SMILES: c1(c2nc(C3(c4ccc(cc4)F)COCC3)no2)nc2n(c1)ccs2
• Canonical SMILES: Fc1ccc(cc1)C1(COCC1)c1noc(n1)c1cn2c(n1)scc2
• InChI: InChI=1S/C17H13FN4O2S/c18-12-3-1-11(2-4-12)17(5-7-23-10-17)15-20-14(24-21-15)13-9-22-6-8-25-16(22)19-13/h1-4,6,8-9H,5,7,10H2
• InChIKey: FVKNODDJRFFZKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-{imidazo[2,1-b][1,3]thiazol-6-yl}-1,2,4-oxadiazole
• IUPAC Traditional name: 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-{imidazo[2,1-b][1,3]thiazol-6-yl}-1,2,4-oxadiazole
• Synonyms: 6-{3-[3-(4-fluorophenyl)tetrahydro-3-furanyl]-1,2,4-oxadiazol-5-yl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.575105
• LogD (pH = 7.4): 3.5753648
• Log P: 3.575368
• Molar Refractivity: 122.785 cm^3
• Polarizability: 33.976532 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.3
• LOG S: -3.76
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 3