Basic information
- Standard SMILES
O=c1oc(C2CCN(c3ccc(NCc4ccc([N+](=O)[O-])o4)cc3F)CC2)nn1Cc1ccccc1- InChIKey
DTRXEHQZDBXMDV-UHFFFAOYSA-N- Molecular formula
- C25H24FN5O5
- Average molar mass
- 493.5 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-5-[1-(2-fluoro-4-[(5-nitro-2-furyl)methyl]aminophenyl)-4-piperidyl]-2,3-dihydro-1,3,4-oxadiazol-2-one
- IUPAC
- 3-benzyl-5-[1-[2-fluoro-4-[(5-nitrofuran-2-yl)methylamino]phenyl]piperidin-4-yl]-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL15056125DTRXEHQZDBXMDV-UHFFFAOYSA-N3-benzyl-5-[1-(2-fluoro-4-[(5-nitro-2-furyl)methyl]aminophenyl)-4-piperidyl]-2,3-dihydro-1,3,4-oxadiazol-2-one
Database identifiers
- PubChem CID
- 71617153
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 811
Related reactions
1 records
Compound notes
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