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

• ChemBase ID: 677223
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: c1(C(=O)N2[C@H](CCC[C@H]2C)C)nc(oc1)COc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)N1[C@H](C)CCC[C@@H]1C
• InChI: InChI=1S/C19H24N2O4/c1-13-6-4-7-14(2)21(13)19(22)17-11-25-18(20-17)12-24-16-9-5-8-15(10-16)23-3/h5,8-11,13-14H,4,6-7,12H2,1-3H3/t13-,14+
• InChIKey: GDMSFNPGZMDZRN-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7647932
• LogD (pH = 7.4): 2.7647932
• Log P: 2.7647932
• Molar Refractivity: 93.1128 cm^3
• Polarizability: 35.963535 Å^3
• Polar Surface Area: 64.8 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: 2.69
• LOG S: -3.18
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4