8-{[4-(2,2-dimethylmorpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline

• ChemBase ID: 692492
• Molecular Formular: C20H21N3O4
• Molecular Mass: 367.39844
• Monoisotopic Mass: 367.15320617
• SMILES: c1(nc(oc1)COc1c2ncccc2ccc1)C(=O)N1CC(OCC1)(C)C
• Canonical SMILES: O=C(c1coc(n1)COc1cccc2c1nccc2)N1CCOC(C1)(C)C
• InChI: InChI=1S/C20H21N3O4/c1-20(2)13-23(9-10-27-20)19(24)15-11-26-17(22-15)12-25-16-7-3-5-14-6-4-8-21-18(14)16/h3-8,11H,9-10,12-13H2,1-2H3
• InChIKey: ZYGGCKXDMFSWFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[4-(2,2-dimethylmorpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• IUPAC Traditional name: 8-{[4-(2,2-dimethylmorpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• Synonyms: 8-({4-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1,3-oxazol-2-yl}methoxy)quinoline

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 1.8752425
• Log P: 1.8752542
• Molar Refractivity: 97.7228 cm^3
• Polarizability: 38.89378 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8743294

供应商提供(Chembridge)

• Log P: -0.17
• LOG S: -3.04
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 4
• H Acceptors: 6
• H Donor: 0