methyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]{[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl}amine

• ChemBase ID: 420531
• Molecular Formular: C15H18N4O2S
• Molecular Mass: 318.39402
• Monoisotopic Mass: 318.11504684
• SMILES: c1(nc(c(o1)C)CN(Cc1nc(on1)C)C)c1c(ccs1)C
• Canonical SMILES: CN(Cc1nc(oc1C)c1sccc1C)Cc1noc(n1)C
• InChI: InChI=1S/C15H18N4O2S/c1-9-5-6-22-14(9)15-17-12(10(2)20-15)7-19(4)8-13-16-11(3)21-18-13/h5-6H,7-8H2,1-4H3
• InChIKey: QGZJPONLLSLLSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]{[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl}amine
• IUPAC Traditional name: methyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]{[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl}amine
• Synonyms: N-methyl-1-[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5
• H Acceptors: 6
• H Donor: 0
• Log P: 2.51
• LOG S: -2.66

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5858138
• LogD (pH = 7.4): 2.635726
• Log P: 2.636401
• Molar Refractivity: 96.1504 cm^3
• Polarizability: 32.330246 Å^3
• Polar Surface Area: 68.19 Å^2