(2R,6S)-1-[2-(4-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]-2,6-dimethylpiperidine

• ChemBase ID: 556689
• Molecular Formular: C18H21FN2O3
• Molecular Mass: 332.3693432
• Monoisotopic Mass: 332.15362076
• SMILES: c1(C(=O)N2[C@H](CCC[C@H]2C)C)nc(oc1)COc1ccc(F)cc1
• Canonical SMILES: C[C@@H]1CCC[C@@H](N1C(=O)c1coc(n1)COc1ccc(cc1)F)C
• InChI: InChI=1S/C18H21FN2O3/c1-12-4-3-5-13(2)21(12)18(22)16-10-24-17(20-16)11-23-15-8-6-14(19)7-9-15/h6-10,12-13H,3-5,11H2,1-2H3/t12-,13+
• InChIKey: UHJACKOWMQBUPW-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-1-[2-(4-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]-2,6-dimethylpiperidine
• IUPAC Traditional name: (2R,6S)-1-[2-(4-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]-2,6-dimethylpiperidine
• Synonyms: (2R*,6S*)-1-({2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl}carbonyl)-2,6-dimethylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0651665
• LogD (pH = 7.4): 3.0651665
• Log P: 3.0651665
• Molar Refractivity: 86.866 cm^3
• Polarizability: 33.14143 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.88
• LOG S: -3.78
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4