3-[5-({2-[5-(oxolan-2-yl)thiophen-2-yl]-1H-imidazol-1-yl}methyl)-1,2,4-oxadiazol-3-yl]pyridine

• ChemBase ID: 398942
• Molecular Formular: C19H17N5O2S
• Molecular Mass: 379.43558
• Monoisotopic Mass: 379.11029581
• SMILES: n1c(noc1Cn1c(c2sc(cc2)C2OCCC2)ncc1)c1cnccc1
• Canonical SMILES: C1COC(C1)c1ccc(s1)c1nccn1Cc1onc(n1)c1cccnc1
• InChI: InChI=1S/C19H17N5O2S/c1-3-13(11-20-7-1)18-22-17(26-23-18)12-24-9-8-21-19(24)16-6-5-15(27-16)14-4-2-10-25-14/h1,3,5-9,11,14H,2,4,10,12H2
• InChIKey: VKEWHKMYZABRKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-({2-[5-(oxolan-2-yl)thiophen-2-yl]-1H-imidazol-1-yl}methyl)-1,2,4-oxadiazol-3-yl]pyridine
• IUPAC Traditional name: 3-[5-({2-[5-(oxolan-2-yl)thiophen-2-yl]imidazol-1-yl}methyl)-1,2,4-oxadiazol-3-yl]pyridine
• Synonyms: 3-[5-({2-[5-(tetrahydrofuran-2-yl)-2-thienyl]-1H-imidazol-1-yl}methyl)-1,2,4-oxadiazol-3-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.750881
• LogD (pH = 7.4): 2.9951239
• Log P: 2.999498
• Molar Refractivity: 122.2733 cm^3
• Polarizability: 39.2676 Å^3
• Polar Surface Area: 78.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.19
• LOG S: -3.84
• Polar Surface Area: 78.86 Å^2
• Rotatable Bonds: 5