1-methyl-5-{[3-(4-phenylphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1H-imidazole

• ChemBase ID: 703621
• Molecular Formular: C23H22N4O
• Molecular Mass: 370.44698
• Monoisotopic Mass: 370.17936134
• SMILES: c12c(noc1CCN(C2)Cc1n(cnc1)C)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Cn1cncc1CN1CCc2c(C1)c(no2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C23H22N4O/c1-26-16-24-13-20(26)14-27-12-11-22-21(15-27)23(25-28-22)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,13,16H,11-12,14-15H2,1H3
• InChIKey: JUMIEILFZPOVMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-{[3-(4-phenylphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1H-imidazole
• IUPAC Traditional name: 1-methyl-5-{[3-(4-phenylphenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}imidazole
• Synonyms: 3-biphenyl-4-yl-5-[(1-methyl-1H-imidazol-5-yl)methyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0092652
• LogD (pH = 7.4): 3.254077
• Log P: 3.4403574
• Molar Refractivity: 111.5822 cm^3
• Polarizability: 44.546543 Å^3
• Polar Surface Area: 47.09 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: 2.19
• LOG S: -2.76
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 4