2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridine

• ChemBase ID: 335194
• Molecular Formular: C17H20N6O2
• Molecular Mass: 340.3797
• Monoisotopic Mass: 340.16477391
• SMILES: n1c(onc1C(C)C)c1cnc(N2C(c3nonc3C)CCC2)cc1
• Canonical SMILES: CC(c1noc(n1)c1ccc(nc1)N1CCCC1c1nonc1C)C
• InChI: InChI=1S/C17H20N6O2/c1-10(2)16-19-17(24-22-16)12-6-7-14(18-9-12)23-8-4-5-13(23)15-11(3)20-25-21-15/h6-7,9-10,13H,4-5,8H2,1-3H3
• InChIKey: RDRRWBUMDLWLLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridine
• IUPAC Traditional name: 5-(3-isopropyl-1,2,4-oxadiazol-5-yl)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine
• Synonyms: 5-(3-isopropyl-1,2,4-oxadiazol-5-yl)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-pyrrolidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.4509068
• LogD (pH = 7.4): 3.5185945
• Log P: 3.5195332
• Molar Refractivity: 104.5255 cm^3
• Polarizability: 34.553493 Å^3
• Polar Surface Area: 93.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.78
• LOG S: -4.25
• Polar Surface Area: 93.97 Å^2
• Rotatable Bonds: 3