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

• ChemBase ID: 333227
• Molecular Formular: C21H23FN4O
• Molecular Mass: 366.4319232
• Monoisotopic Mass: 366.1855896
• SMILES: c12c(noc1CCN(C2)Cc1n(cnc1)C1CCCC1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1c1noc2c1CN(CC2)Cc1cncn1C1CCCC1
• InChI: InChI=1S/C21H23FN4O/c22-19-8-4-3-7-17(19)21-18-13-25(10-9-20(18)27-24-21)12-16-11-23-14-26(16)15-5-1-2-6-15/h3-4,7-8,11,14-15H,1-2,5-6,9-10,12-13H2
• InChIKey: VMWHSJQDAXHWEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.094447
• LogD (pH = 7.4): 3.1816478
• Log P: 3.290536
• Molar Refractivity: 103.0756 cm^3
• Polarizability: 39.803722 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: 2.54
• LOG S: -3.03
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 4