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

• ChemBase ID: 318623
• Molecular Formular: C19H19N5O
• Molecular Mass: 333.38706
• Monoisotopic Mass: 333.15896025
• SMILES: c1(c(nn(c1)C)C)C(n1c(c2nc(oc2)c2ccccc2)ncc1)C
• Canonical SMILES: Cn1nc(c(c1)C(n1ccnc1c1coc(n1)c1ccccc1)C)C
• InChI: InChI=1S/C19H19N5O/c1-13-16(11-23(3)22-13)14(2)24-10-9-20-18(24)17-12-25-19(21-17)15-7-5-4-6-8-15/h4-12,14H,1-3H3
• InChIKey: DBYJFMSZLVRUFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0813425
• LogD (pH = 7.4): 3.1549723
• Log P: 3.1560125
• Molar Refractivity: 126.9764 cm^3
• Polarizability: 37.210453 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: 2.17
• LOG S: -3.48
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 4