5-(4-[1,2,3]Triazol-1-yl-but-1-ynyl)-2-{2-[2-(4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyrimidine
Basic information
- Standard SMILES
FC(F)(F)c1ccc(C=Cc2nc(COc3ncc(C#CCCn4ccnn4)cn3)co2)cc1- InChIKey
UTAJEPPJDIKOAN-UHFFFAOYSA-N- Molecular formula
- C23H17F3N6O2
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 466.13650829
Names & identifiers
- Preferred name
- 5-(4-[1,2,3]Triazol-1-yl-but-1-ynyl)-2-{2-[2-(4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyrimidine
- IUPAC
- 4-[[5-[4-(triazol-1-yl)but-1-ynyl]pyrimidin-2-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
Names & synonyms
5-(4-[1,2,3]triazol-1-yl-but-1-ynyl)-2-{2-[2-(4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyrimidineSCHEMBL5560637
Database identifiers
- PubChem CID
- 69488384
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 723
Related reactions
4 records
Compound notes
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