5-[(2,4-dimethyl-1H-imidazol-1-yl)methyl]-3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazole

• ChemBase ID: 404001
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: c1(nc(on1)Cn1c(nc(c1)C)C)C1(c2ccc(cc2)C)CCCC1
• Canonical SMILES: Cc1ccc(cc1)C1(CCCC1)c1noc(n1)Cn1cc(nc1C)C
• InChI: InChI=1S/C20H24N4O/c1-14-6-8-17(9-7-14)20(10-4-5-11-20)19-22-18(25-23-19)13-24-12-15(2)21-16(24)3/h6-9,12H,4-5,10-11,13H2,1-3H3
• InChIKey: DXDOHDYMVZFHRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2,4-dimethyl-1H-imidazol-1-yl)methyl]-3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazole
• IUPAC Traditional name: 5-[(2,4-dimethylimidazol-1-yl)methyl]-3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazole
• Synonyms: 5-[(2,4-dimethyl-1H-imidazol-1-yl)methyl]-3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1096518
• LogD (pH = 7.4): 4.2998004
• Log P: 4.488799
• Molar Refractivity: 108.8546 cm^3
• Polarizability: 36.885487 Å^3
• Polar Surface Area: 56.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.6
• LOG S: -4.73
• Polar Surface Area: 56.74 Å^2
• Rotatable Bonds: 4