N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide

• ChemBase ID: 408407
• Molecular Formular: C13H16N4O4
• Molecular Mass: 292.29054
• Monoisotopic Mass: 292.11715501
• SMILES: n1(c(=O)c(c[nH]c1=O)CC(=O)NCc1onc(c1)CC)C
• Canonical SMILES: CCc1noc(c1)CNC(=O)Cc1c[nH]c(=O)n(c1=O)C
• InChI: InChI=1S/C13H16N4O4/c1-3-9-5-10(21-16-9)7-14-11(18)4-8-6-15-13(20)17(2)12(8)19/h5-6H,3-4,7H2,1-2H3,(H,14,18)(H,15,20)
• InChIKey: ZAVJIVFQIFUCJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(1-methyl-2,6-dioxo-3H-pyrimidin-5-yl)acetamide
• Synonyms: N-[(3-ethylisoxazol-5-yl)methyl]-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.5580015
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.85408545
• LogD (pH = 7.4): -0.8543767
• Log P: -0.8540784
• Molar Refractivity: 73.3589 cm^3
• Polarizability: 27.457764 Å^3
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.29
• LOG S: -2.39
• Polar Surface Area: 109.99 Å^2
• Rotatable Bonds: 5