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

• ChemBase ID: 845163
• Molecular Formular: C11H14N4O3S
• Molecular Mass: 282.31886
• Monoisotopic Mass: 282.07866133
• SMILES: c1(nonc1C)OCCNC(=O)Cc1nc(sc1)C
• Canonical SMILES: O=C(Cc1csc(n1)C)NCCOc1nonc1C
• InChI: InChI=1S/C11H14N4O3S/c1-7-11(15-18-14-7)17-4-3-12-10(16)5-9-6-19-8(2)13-9/h6H,3-5H2,1-2H3,(H,12,16)
• InChIKey: CASFRXCCVMPMSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.215263
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.15280014
• LogD (pH = 7.4): 0.1541408
• Log P: 0.15415798
• Molar Refractivity: 69.1894 cm^3
• Polarizability: 25.784706 Å^3
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.19
• LOG S: -2.41
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 6