2-{4-[2-(2-ethyl-1H-imidazol-1-yl)acetyl]morpholin-3-yl}-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

• ChemBase ID: 516132
• Molecular Formular: C19H27N5O4
• Molecular Mass: 389.44878
• Monoisotopic Mass: 389.20630437
• SMILES: N1(C(=O)Cn2c(ncc2)CC)C(CC(=O)N(Cc2onc(c2)C)C)COCC1
• Canonical SMILES: CCc1nccn1CC(=O)N1CCOCC1CC(=O)N(Cc1onc(c1)C)C
• InChI: InChI=1S/C19H27N5O4/c1-4-17-20-5-6-23(17)12-19(26)24-7-8-27-13-15(24)10-18(25)22(3)11-16-9-14(2)21-28-16/h5-6,9,15H,4,7-8,10-13H2,1-3H3
• InChIKey: HDYFDTUDTFDPIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[2-(2-ethyl-1H-imidazol-1-yl)acetyl]morpholin-3-yl}-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-{4-[2-(2-ethylimidazol-1-yl)acetyl]morpholin-3-yl}-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
• Synonyms: 2-{4-[(2-ethyl-1H-imidazol-1-yl)acetyl]-3-morpholinyl}-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.6249433
• LogD (pH = 7.4): -0.8177513
• Log P: -0.6424928
• Molar Refractivity: 102.3452 cm^3
• Polarizability: 38.975372 Å^3
• Polar Surface Area: 93.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.67
• LOG S: -2.78
• Polar Surface Area: 93.7 Å^2
• Rotatable Bonds: 7