Basic information
- Standard SMILES
Clc1cnc(NC2=NCC3(CN4CCC3CC4)O2)cc1Cl- InChIKey
XXCHCVVLHLOEDV-UHFFFAOYSA-N- Molecular formula
- C14H16Cl2N4O
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 326.0701165
Names & identifiers
- Preferred name
- N-(4,5-dichloro-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
- IUPAC
- N-(4,5-dichloro-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Database identifiers
- PubChem CID
- 76663409
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Related reactions
1 records
Compound notes
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