3-(oxolan-3-yl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole

• ChemBase ID: 341706
• Molecular Formular: C18H16N2O3
• Molecular Mass: 308.33124
• Monoisotopic Mass: 308.11609238
• SMILES: n1c(noc1c1cc(Oc2ccccc2)ccc1)C1COCC1
• Canonical SMILES: C1OCC(C1)c1noc(n1)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C18H16N2O3/c1-2-6-15(7-3-1)22-16-8-4-5-13(11-16)18-19-17(20-23-18)14-9-10-21-12-14/h1-8,11,14H,9-10,12H2
• InChIKey: ZWPAHCNZCHDNKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxolan-3-yl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 3-(oxolan-3-yl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole
• Synonyms: 5-(3-phenoxyphenyl)-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8424234
• LogD (pH = 7.4): 3.8424234
• Log P: 3.8424234
• Molar Refractivity: 96.6366 cm^3
• Polarizability: 33.291588 Å^3
• Polar Surface Area: 57.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.97
• LOG S: -4.84
• Polar Surface Area: 57.38 Å^2
• Rotatable Bonds: 4