Basic information
- Standard SMILES
CC(C)Nc1cc(Cl)ncc1-c1nnc(CCl)o1- InChIKey
ITUCTEPLNCMRRB-UHFFFAOYSA-N- Molecular formula
- C11H12Cl2N4O
- Average molar mass
- 287.14 g/mol
- Monoisotopic mass
- 286.0388164
Names & identifiers
- Preferred name
- 2-chloro-5-(5-(chloromethyl)-1,3,4-oxadiazol-2-yl)-N-isopropylpyridin-4-amine
- IUPAC
- 2-chloro-5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpyridin-4-amine
Names & synonyms
SCHEMBL15111790ITUCTEPLNCMRRB-UHFFFAOYSA-N2-chloro-5-(5-(chloromethyl)-1,3,4-oxadiazol-2-yl)-N-isopropylpyridin-4-amine
Database identifiers
- PubChem CID
- 89690893
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Related reactions
6 records
Compound notes
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