Basic information
- Standard SMILES
COCCNCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1- InChIKey
XTJUDMFAKWTXMM-UHFFFAOYSA-N- Molecular formula
- C25H22FN7O2
- Average molar mass
- 471.5 g/mol
Names & identifiers
- Preferred name
- N-(4-{5-[1-(2-fluorophenyl)-5-pyridin-4-yl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)-2-methoxyethanamine
- IUPAC
- N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine
Names & synonyms
SCHEMBL3766962XTJUDMFAKWTXMM-UHFFFAOYSA-NN-(4-{5-[1-(2-fluorophenyl)-5-pyridin-4-yl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)-2-methoxyethanamine
Database identifiers
- PubChem CID
- 59604062
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Compound notes
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