4-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-1H-imidazol-5-yl}-5-methyl-2-phenyl-1,3-oxazole

• ChemBase ID: 546656
• Molecular Formular: C25H23N5O
• Molecular Mass: 409.48302
• Monoisotopic Mass: 409.19026038
• SMILES: c1(c2n(cnc2c2ccccc2)Cc2c(n(nc2)C)C)nc(oc1C)c1ccccc1
• Canonical SMILES: Cc1oc(nc1c1n(cnc1c1ccccc1)Cc1cnn(c1C)C)c1ccccc1
• InChI: InChI=1S/C25H23N5O/c1-17-21(14-27-29(17)3)15-30-16-26-23(19-10-6-4-7-11-19)24(30)22-18(2)31-25(28-22)20-12-8-5-9-13-20/h4-14,16H,15H2,1-3H3
• InChIKey: GUOFGDLEEZLECF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-1H-imidazol-5-yl}-5-methyl-2-phenyl-1,3-oxazole
• IUPAC Traditional name: 4-{3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenylimidazol-4-yl}-5-methyl-2-phenyl-1,3-oxazole
• Synonyms: 4-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-1H-imidazol-5-yl}-5-methyl-2-phenyl-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5386977
• LogD (pH = 7.4): 4.5821333
• Log P: 4.5827217
• Molar Refractivity: 142.9418 cm^3
• Polarizability: 48.844383 Å^3
• Polar Surface Area: 61.67 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: 5.41
• LOG S: -6.8
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 5