6-{[4-(2-phenylazetidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline

• ChemBase ID: 840418
• Molecular Formular: C23H19N3O3
• Molecular Mass: 385.41526
• Monoisotopic Mass: 385.14264148
• SMILES: c1(C(=O)N2C(CC2)c2ccccc2)nc(oc1)COc1cc2c(nccc2)cc1
• Canonical SMILES: O=C(N1CCC1c1ccccc1)c1coc(n1)COc1ccc2c(c1)cccn2
• InChI: InChI=1S/C23H19N3O3/c27-23(26-12-10-21(26)16-5-2-1-3-6-16)20-14-29-22(25-20)15-28-18-8-9-19-17(13-18)7-4-11-24-19/h1-9,11,13-14,21H,10,12,15H2
• InChIKey: BCXHKSSVVREZHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[4-(2-phenylazetidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• IUPAC Traditional name: 6-{[4-(2-phenylazetidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• Synonyms: 6-({4-[(2-phenylazetidin-1-yl)carbonyl]-1,3-oxazol-2-yl}methoxy)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0171862
• LogD (pH = 7.4): 3.0685775
• Log P: 3.069278
• Molar Refractivity: 106.7705 cm^3
• Polarizability: 42.254253 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.21
• LOG S: -3.04
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5