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

• ChemBase ID: 834413
• Molecular Formular: C23H22N4O
• Molecular Mass: 370.44698
• Monoisotopic Mass: 370.17936134
• SMILES: c12c(noc1CCN(C2)CCn1cncc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1noc2c1CN(CC2)CCn1cncc1
• InChI: InChI=1S/C23H22N4O/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)23-21-16-26(12-10-22(21)28-25-23)14-15-27-13-11-24-17-27/h1-9,11,13,17H,10,12,14-16H2
• InChIKey: AEAFMKDVYFQMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0918543
• LogD (pH = 7.4): 2.9203146
• Log P: 3.597604
• Molar Refractivity: 111.1811 cm^3
• Polarizability: 44.549805 Å^3
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.32
• LOG S: -3.73
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 5