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

• ChemBase ID: 325159
• Molecular Formular: C23H24N4O
• Molecular Mass: 372.46286
• Monoisotopic Mass: 372.19501141
• SMILES: c12c(noc1CCN(C2)Cc1n(ccn1)CCC)c1c2c(ccc1)cccc2
• Canonical SMILES: CCCn1ccnc1CN1CCc2c(C1)c(no2)c1cccc2c1cccc2
• InChI: InChI=1S/C23H24N4O/c1-2-12-27-14-11-24-22(27)16-26-13-10-21-20(15-26)23(25-28-21)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,11,14H,2,10,12-13,15-16H2,1H3
• InChIKey: ONZXQAUSECXXCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7399416
• LogD (pH = 7.4): 3.745505
• Log P: 3.8151045
• Molar Refractivity: 111.6183 cm^3
• Polarizability: 44.784237 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: 3.77
• LOG S: -4.13
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 5