N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 508058
• Molecular Formular: C13H20N4O4
• Molecular Mass: 296.3223
• Monoisotopic Mass: 296.14845514
• SMILES: C1(=O)N(CC(=O)N(Cc2cn(nc2)C)CCOC)CCO1
• Canonical SMILES: COCCN(C(=O)CN1CCOC1=O)Cc1cnn(c1)C
• InChI: InChI=1S/C13H20N4O4/c1-15-8-11(7-14-15)9-16(3-5-20-2)12(18)10-17-4-6-21-13(17)19/h7-8H,3-6,9-10H2,1-2H3
• InChIKey: DJPASAHTGWSLQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.31742
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.91149986
• LogD (pH = 7.4): -0.9114205
• Log P: -0.9114195
• Molar Refractivity: 86.1736 cm^3
• Polarizability: 28.668495 Å^3
• Polar Surface Area: 76.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.9
• LOG S: -1.9
• Polar Surface Area: 76.9 Å^2
• Rotatable Bonds: 7