2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

• ChemBase ID: 486283
• Molecular Formular: C14H20N4O4
• Molecular Mass: 308.333
• Monoisotopic Mass: 308.14845514
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(CCn1nccc1)CC
• Canonical SMILES: CCN(C(=O)CN1C(=O)OC(C1=O)(C)C)CCn1cccn1
• InChI: InChI=1S/C14H20N4O4/c1-4-16(8-9-17-7-5-6-15-17)11(19)10-18-12(20)14(2,3)22-13(18)21/h5-7H,4,8-10H2,1-3H3
• InChIKey: JEFDSYXXRGUJQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-ethyl-N-[2-(pyrazol-1-yl)ethyl]acetamide
• Synonyms: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.077694
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.20879541
• LogD (pH = 7.4): 0.20892636
• Log P: 0.20892805
• Molar Refractivity: 88.6414 cm^3
• Polarizability: 29.965942 Å^3
• Polar Surface Area: 84.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.45
• LOG S: -1.83
• Polar Surface Area: 84.74 Å^2
• Rotatable Bonds: 6