Basic information
- Standard SMILES
COc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1OC- InChIKey
LXMIBKREPYESSP-UHFFFAOYSA-N- Molecular formula
- C21H19N3O5
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 3-(7-{5-[3,4-bis(methyloxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indol-3-yl)propanoic acid
- IUPAC
- 3-[7-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
Names & synonyms
CHEMBL2018310SCHEMBL1420344LXMIBKREPYESSP-UHFFFAOYSA-NBDBM504199873-(7-{5-[3,4-bis(methyloxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indol-3-yl)propanoic acid
Database identifiers
- PubChem CID
- 44548226
- ChEMBL
CHEMBL2018310
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 564
Related reactions
2 records
Compound notes
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