Completing data — usually done within a minute
Basic information
- CAS
2197124-93-7- Standard SMILES
FC(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1- InChIKey
ZTFBIUXIQYRUNT-UHFFFAOYSA-N- Molecular formula
- C25H23F3N4O2
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.17731064
Names & identifiers
- Preferred name
- C25H23F3N4O2
- IUPAC
- 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
Names & synonyms
C25H23F3N4O2ZTFBIUXIQYRUNT-UHFFFAOYSA-NSCHEMBL571874CHEMBL3186716DTXSID30870339HMS3655P10HMS3744I11s2216SB19375NCGC00346582-012197124-93-71-(4-{4-[(2-{2-[4-(Trifluoromethyl)phenyl]ethen-1-yl}-1,3-oxazol-4-yl)methoxy]phenyl}butyl)-1H-1,2,3-triazole
Show more names
1-(4-{4-[(2-{2-[4-(Trifluoromethyl)phenyl]ethenyl}-1,3-oxazol-4-yl)methoxy]phenyl}butyl)-1H-1,2,3-triazole4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[2-[4-(trifluoromethyl)phenyl]vinyl]oxazole
Database identifiers
- CAS
2197124-93-7- PubChem CID
- 204100
- DTXSID
DTXSID30870339- ChEMBL
CHEMBL3186716
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 620
Related reactions
5 records
Compound notes
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