N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 524195
• Molecular Formular: C11H14N4O3S
• Molecular Mass: 282.31886
• Monoisotopic Mass: 282.07866133
• SMILES: n1c(noc1COC)CNC(=O)Cc1nc(sc1)C
• Canonical SMILES: COCc1onc(n1)CNC(=O)Cc1csc(n1)C
• InChI: InChI=1S/C11H14N4O3S/c1-7-13-8(6-19-7)3-10(16)12-4-9-14-11(5-17-2)18-15-9/h6H,3-5H2,1-2H3,(H,12,16)
• InChIKey: YXLXLQBVNNLYBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 0.23596276
• LogD (pH = 7.4): 0.23730578
• Log P: 0.23733261
• Molar Refractivity: 68.9951 cm^3
• Polarizability: 25.861147 Å^3
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 12.018028
• H Acceptors: 5

供应商提供(Chembridge)

• H Donor: 1
• Log P: -0.95
• LOG S: -1.76
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 6
• H Acceptors: 6