Basic information
- Standard SMILES
COc1ccc(F)cc1-c1noc(-c2ccc(N3C(C)CCC3C)c([N+](=O)[O-])c2)n1- InChIKey
GSQHWRPMTJUYDL-UHFFFAOYSA-N- Molecular formula
- C21H21FN4O4
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.15468333
Names & identifiers
- Preferred name
- 5-[4-(2,5-Dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
- IUPAC
- 5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
Names & synonyms
SCHEMBL3764593GSQHWRPMTJUYDL-UHFFFAOYSA-N5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
Database identifiers
- PubChem CID
- 25256479
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
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