Basic information
- Standard SMILES
CC(C)Oc1ncc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1Cl- InChIKey
JMIFOBXVJXOAPQ-UHFFFAOYSA-N- Molecular formula
- C21H19ClN4O4
- Average molar mass
- 426.9 g/mol
Names & identifiers
- Preferred name
- 3-[7-(5-{5-chloro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]propanoic acid
- IUPAC
- 3-[7-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
Names & synonyms
CHEMBL2018179SCHEMBL1420800JMIFOBXVJXOAPQ-UHFFFAOYSA-NBDBM504199753-[7-(5-{5-chloro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]propanoic acid
Database identifiers
- PubChem CID
- 44547603
- ChEMBL
CHEMBL2018179
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Related reactions
4 records
Compound notes
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