2-(5-{1-[2-(5-methylfuran-2-yl)-1H-imidazol-1-yl]ethyl}-1,2,4-oxadiazol-3-yl)pyridine

• ChemBase ID: 685628
• Molecular Formular: C17H15N5O2
• Molecular Mass: 321.3333
• Monoisotopic Mass: 321.12257475
• SMILES: n1c(onc1c1ncccc1)C(n1c(c2oc(cc2)C)ncc1)C
• Canonical SMILES: Cc1ccc(o1)c1nccn1C(c1onc(n1)c1ccccn1)C
• InChI: InChI=1S/C17H15N5O2/c1-11-6-7-14(23-11)16-19-9-10-22(16)12(2)17-20-15(21-24-17)13-5-3-4-8-18-13/h3-10,12H,1-2H3
• InChIKey: DKYQFZXPNVUCJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-{1-[2-(5-methylfuran-2-yl)-1H-imidazol-1-yl]ethyl}-1,2,4-oxadiazol-3-yl)pyridine
• IUPAC Traditional name: 2-(5-{1-[2-(5-methylfuran-2-yl)imidazol-1-yl]ethyl}-1,2,4-oxadiazol-3-yl)pyridine
• Synonyms: 2-(5-{1-[2-(5-methyl-2-furyl)-1H-imidazol-1-yl]ethyl}-1,2,4-oxadiazol-3-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9777331
• LogD (pH = 7.4): 3.0609794
• Log P: 3.062169
• Molar Refractivity: 108.4835 cm^3
• Polarizability: 33.751892 Å^3
• Polar Surface Area: 82.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.81
• LOG S: -3.09
• Polar Surface Area: 82.77 Å^2
• Rotatable Bonds: 4