Basic information
- Standard SMILES
COc1ccc(OC)c(Cc2nc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)no2)c1- InChIKey
CAHOMTJDPXEZFC-UHFFFAOYSA-N- Molecular formula
- C22H21ClN4O4
- Average molar mass
- 440.9 g/mol
Names & identifiers
- Preferred name
- N-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-(2,5-dimethoxybenzyl)-1,2,4-oxadiazole-3-carboxamide
- IUPAC
- N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
Names & synonyms
SCHEMBL892663CAHOMTJDPXEZFC-UHFFFAOYSA-NN-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-(2,5-dimethoxybenzyl)-1,2,4-oxadiazole-3-carboxamide
Database identifiers
- PubChem CID
- 49869045
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 600
Related reactions
3 records
Compound notes
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