4-[1-({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidine-4-carbonyl]morpholine

• ChemBase ID: 604315
• Molecular Formular: C22H26F3N3O3
• Molecular Mass: 437.4553496
• Monoisotopic Mass: 437.19262637
• SMILES: n1c(c(oc1c1ccc(C(F)(F)F)cc1)C)CN1CCC(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCN(CC1)Cc1nc(oc1C)c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C22H26F3N3O3/c1-15-19(26-20(31-15)16-2-4-18(5-3-16)22(23,24)25)14-27-8-6-17(7-9-27)21(29)28-10-12-30-13-11-28/h2-5,17H,6-14H2,1H3
• InChIKey: ZYRLZQMITJQSIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidine-4-carbonyl]morpholine
• IUPAC Traditional name: 4-[1-({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidine-4-carbonyl]morpholine
• Synonyms: 4-{[1-({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-4-piperidinyl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.34657565
• LogD (pH = 7.4): 2.0540547
• Log P: 2.5352056
• Molar Refractivity: 120.0849 cm^3
• Polarizability: 41.647274 Å^3
• Polar Surface Area: 58.81 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: 1.94
• LOG S: -3.4
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4