4-(5-{2-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-yl]-propyl}-4-methyl-4H-[1,2,4]triazol-3-yl)-pyridine
Basic information
- Standard SMILES
CC(Cc1nnc(-c2ccncc2)n1C)c1noc(-c2cccc(Cl)c2)n1- InChIKey
NLEPIJCFSHIKFA-UHFFFAOYSA-N- Molecular formula
- C19H17ClN6O
- Average molar mass
- 380.8 g/mol
Names & identifiers
- Preferred name
- 4-(5-{2-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-yl]-propyl}-4-methyl-4H-[1,2,4]triazol-3-yl)-pyridine
- IUPAC
- 5-(3-chlorophenyl)-3-[1-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole
Names & synonyms
SCHEMBL1544057NLEPIJCFSHIKFA-UHFFFAOYSA-N4-(5-{2-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-yl]-propyl}-4-methy-4H-[1,2,4]triazol-3-yl)-pyridine4-(5-{2-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-yl]-propyl}-4-methyl-4H-[1,2,4]triazol-3-yl)-pyridine
Database identifiers
- PubChem CID
- 59667366
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 479
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Related reactions
3 records
Compound notes
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