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

• ChemBase ID: 334990
• Molecular Formular: C23H27N5O
• Molecular Mass: 389.49338
• Monoisotopic Mass: 389.22156051
• SMILES: c1(c2n(cnc2c2ccccc2)Cc2cc(no2)CC(C)C)cn(nc1)C(C)C
• Canonical SMILES: CC(Cc1noc(c1)Cn1cnc(c1c1cnn(c1)C(C)C)c1ccccc1)C
• InChI: InChI=1S/C23H27N5O/c1-16(2)10-20-11-21(29-26-20)14-27-15-24-22(18-8-6-5-7-9-18)23(27)19-12-25-28(13-19)17(3)4/h5-9,11-13,15-17H,10,14H2,1-4H3
• InChIKey: OGVVIMARKQASMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpropyl)-5-({4-phenyl-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazol-1-yl}methyl)-1,2-oxazole
• IUPAC Traditional name: 5-{[5-(1-isopropylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl}-3-(2-methylpropyl)-1,2-oxazole
• Synonyms: 3-isobutyl-5-{[5-(1-isopropyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]methyl}isoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.32813
• LogD (pH = 7.4): 4.4506426
• Log P: 4.4525104
• Molar Refractivity: 126.0583 cm^3
• Polarizability: 45.960625 Å^3
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.19
• LOG S: -5.62
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 7