4-{2-[(E)-2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-benzaldehyde

HCID 86600560
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccc(OCc2coc(/C=C/c3ccc(S(=O)C(F)(F)F)cc3)n2)cc1
InChIKey
IKQRYLUQKMFYDL-BJMVGYQFSA-N
Molecular formula
C20H14F3NO4S
Average molar mass
421.4 g/mol
Monoisotopic mass
421.05956359

Names & identifiers

Preferred name
4-{2-[(E)-2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-benzaldehyde
IUPAC
4-[[2-[(E)-2-[4-(trifluoromethylsulfinyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]benzaldehyde

Names & synonyms

4-{2-[(E)-2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-benzaldehydeSCHEMBL5045832

Database identifiers

PubChem CID
86600560

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
88.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

Loading…