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

• ChemBase ID: 707129
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: c1(nc(oc1)COc1cc2c(nccc2)cc1)C(=O)N1CCC(CC1)C(C)C
• Canonical SMILES: CC(C1CCN(CC1)C(=O)c1coc(n1)COc1ccc2c(c1)cccn2)C
• InChI: InChI=1S/C22H25N3O3/c1-15(2)16-7-10-25(11-8-16)22(26)20-13-28-21(24-20)14-27-18-5-6-19-17(12-18)4-3-9-23-19/h3-6,9,12-13,15-16H,7-8,10-11,14H2,1-2H3
• InChIKey: DXOOTQUVKDMWSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.213484
• LogD (pH = 7.4): 3.2648754
• Log P: 3.265576
• Molar Refractivity: 105.4315 cm^3
• Polarizability: 41.86919 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: 2.05
• LOG S: -3.72
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5