Basic information
- CAS
1166829-71-5- Standard SMILES
Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CC2)n1- InChIKey
XDYSAQKYRMUUNJ-UHFFFAOYSA-N- Molecular formula
- C19H13F2N5O
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 365.10881638
Names & identifiers
- Preferred name
- 5-[5-cyclopropyl-1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
- IUPAC
- 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
Names & synonyms
5-[5-cyclopropyl-1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazoleSCHEMBL3763721XDYSAQKYRMUUNJ-UHFFFAOYSA-NDTXSID1011186471166829-71-5
Database identifiers
- CAS
1166829-71-5- PubChem CID
- 44129079
- DTXSID
DTXSID101118647
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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