1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-1H-1,2,3-triazole methanesulfonate

HCID 86587635
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Basic information

Standard SMILES
CS(=O)(=O)O.FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1
InChIKey
DLRYPYGFEUZZKO-FNXZNAJJSA-N
Molecular formula
C26H27F3N4O5S
Average molar mass
564.6 g/mol

Names & identifiers

Preferred name
1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-1H-1,2,3-triazole methanesulfonate
IUPAC
methanesulfonic acid;4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole

Names & synonyms

1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-1H-1,2,3-triazole methanesulfonateSCHEMBL67606441-[4-[4-[ [2-[ (E)-2-[4-(trifluoromethyl)-phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-1H-1,2,3-triazole methanesulfonate

Database identifiers

PubChem CID
86587635

Properties

Computed structural properties

Topological polar surface area
129 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
39

Related reactions

1 records
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Compound notes

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