(2R,6S)-4-[5-(2,6-difluorophenoxymethyl)-1,2-oxazole-3-carbonyl]-2,6-dimethylmorpholine

• ChemBase ID: 541877
• Molecular Formular: C17H18F2N2O4
• Molecular Mass: 352.3326264
• Monoisotopic Mass: 352.12346351
• SMILES: c1(C(=O)N2C[C@@H](O[C@@H](C2)C)C)noc(c1)COc1c(F)cccc1F
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C(=O)c1noc(c1)COc1c(F)cccc1F
• InChI: InChI=1S/C17H18F2N2O4/c1-10-7-21(8-11(2)24-10)17(22)15-6-12(25-20-15)9-23-16-13(18)4-3-5-14(16)19/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
• InChIKey: VPSCZJOIYUSASX-PHIMTYICSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-4-[5-(2,6-difluorophenoxymethyl)-1,2-oxazole-3-carbonyl]-2,6-dimethylmorpholine
• IUPAC Traditional name: (2R,6S)-4-[5-(2,6-difluorophenoxymethyl)-1,2-oxazole-3-carbonyl]-2,6-dimethylmorpholine
• Synonyms: (2R*,6S*)-4-({5-[(2,6-difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-2,6-dimethylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4084904
• LogD (pH = 7.4): 2.4084904
• Log P: 2.4084904
• Molar Refractivity: 85.298 cm^3
• Polarizability: 31.84517 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.07
• LOG S: -4.09
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4