Basic information
- Standard SMILES
Clc1cnc(NC2=NC[C@@]3(CN4CC[C@@H]3C4)O2)c(Cl)c1- InChIKey
JMBMPMODEROWRU-OQPBUACISA-N- Molecular formula
- C13H14Cl2N4O
- Average molar mass
- 313.18 g/mol
Names & identifiers
- Preferred name
- (3R*,4R*)-N-(3,5-dichloropyridin-2-yl)-4'H-1-azaspiro[bicyclo[2.2.1]heptane-3,5'-oxazol]-2'-amine
- IUPAC
- (3R,4R)-N-(3,5-dichloro-2-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-3,5'-4H-1,3-oxazole]-2'-amine
Names & synonyms
SCHEMBL6879940JMBMPMODEROWRU-OQPBUACISA-N(3R*,4R*)-N-(3,5-dichloropyridin-2-yl)-4'H-1-azaspiro[bicyclo[2.2.1]heptane-3,5'-oxazol]-2'-amine
Database identifiers
- PubChem CID
- 68356205
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Compound notes
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