2-[(2-ethyl-6-methylpyridin-3-yl)oxy]-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide

• ChemBase ID: 666933
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: n1oc(cc1C)C[C@H]1[C@@H](NC(=O)COc2c(nc(cc2)C)CC)COC1
• Canonical SMILES: CCc1nc(C)ccc1OCC(=O)N[C@H]1COC[C@H]1Cc1onc(c1)C
• InChI: InChI=1S/C19H25N3O4/c1-4-16-18(6-5-12(2)20-16)25-11-19(23)21-17-10-24-9-14(17)8-15-7-13(3)22-26-15/h5-7,14,17H,4,8-11H2,1-3H3,(H,21,23)/t14-,17+/m1/s1
• InChIKey: MYYINLGGJPPRQY-PBHICJAKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-ethyl-6-methylpyridin-3-yl)oxy]-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
• IUPAC Traditional name: 2-[(2-ethyl-6-methylpyridin-3-yl)oxy]-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
• Synonyms: 2-[(2-ethyl-6-methylpyridin-3-yl)oxy]-N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.858563
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.059856582
• LogD (pH = 7.4): 0.6574463
• Log P: 0.67482686
• Molar Refractivity: 95.7652 cm^3
• Polarizability: 36.926426 Å^3
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.62
• LOG S: -3.2
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 7