1-[2-(4-{2-[2-(E)-(4-chloro-2-fluoro-phenyl)-vinyl]-oxazol-4-ylmethoxy}-benzyloxy)-ethyl]-1H-[1,2,3]triazole

HCID 11626649
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Basic information

Standard SMILES
Fc1cc(Cl)ccc1/C=C/c1nc(COc2ccc(COCCn3ccnn3)cc2)co1
InChIKey
NFRXSDWVJLAARI-XBXARRHUSA-N
Molecular formula
C23H20ClFN4O3
Average molar mass
454.9 g/mol

Names & identifiers

Preferred name
1-[2-(4-{2-[2-(E)-(4-chloro-2-fluoro-phenyl)-vinyl]-oxazol-4-ylmethoxy}-benzyloxy)-ethyl]-1H-[1,2,3]triazole
IUPAC
2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-4-[[4-[2-(triazol-1-yl)ethoxymethyl]phenoxy]methyl]-1,3-oxazole

Names & synonyms

SCHEMBL5561502NFRXSDWVJLAARI-XBXARRHUSA-N1-[2-(4-{2-[2-(E)-(4-chloro-2-fluoro-phenyl)-vinyl]-oxazol-4-ylmethoxy}-benzyloxy)-ethyl]-1H-[1,2,3]triazole

Database identifiers

PubChem CID
11626649

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
75.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
32

Related reactions

1 records
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Compound notes

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