N-[1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-4-yl]acetamide

• ChemBase ID: 376964
• Molecular Formular: C19H22F3N3O2
• Molecular Mass: 381.3920896
• Monoisotopic Mass: 381.16641162
• SMILES: n1c(c(oc1c1cc(C(F)(F)F)ccc1)C)CN1CCC(NC(=O)C)CC1
• Canonical SMILES: CC(=O)NC1CCN(CC1)Cc1nc(oc1C)c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C19H22F3N3O2/c1-12-17(11-25-8-6-16(7-9-25)23-13(2)26)24-18(27-12)14-4-3-5-15(10-14)19(20,21)22/h3-5,10,16H,6-9,11H2,1-2H3,(H,23,26)
• InChIKey: ZHLFNFIMOWIXNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-[1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-4-yl]acetamide
• Synonyms: N-[1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.33894
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.16219021
• LogD (pH = 7.4): 1.7623466
• Log P: 2.0702102
• Molar Refractivity: 105.8385 cm^3
• Polarizability: 36.13928 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.63
• LOG S: -4.23
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4