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

• ChemBase ID: 395538
• Molecular Formular: C15H16N6O2
• Molecular Mass: 312.32654
• Monoisotopic Mass: 312.13347378
• SMILES: c1(C2N(c3ncc(c4nc(no4)C)cc3)CCC2)nonc1C
• Canonical SMILES: Cc1noc(n1)c1ccc(nc1)N1CCCC1c1nonc1C
• InChI: InChI=1S/C15H16N6O2/c1-9-14(20-23-18-9)12-4-3-7-21(12)13-6-5-11(8-16-13)15-17-10(2)19-22-15/h5-6,8,12H,3-4,7H2,1-2H3
• InChIKey: KTWGFMVVOIQBSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine
• IUPAC Traditional name: 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine
• Synonyms: 5-(3-methyl-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): 2.2652261
• LogD (pH = 7.4): 2.3329625
• Log P: 2.3339016
• Molar Refractivity: 95.3241 cm^3
• Polarizability: 30.891293 Å^3
• Polar Surface Area: 93.97 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.86
• LOG S: -3.33
• Polar Surface Area: 93.97 Å^2
• Rotatable Bonds: 3