3-[6-(5-{5-fluoro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]propanoic acid
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Basic information
- Standard SMILES
CC(C)Oc1ncc(-c2nc(-c3ccc4c(CCC(=O)O)c[nH]c4c3)no2)cc1F- InChIKey
ZECVSMWAXICNGE-UHFFFAOYSA-N- Molecular formula
- C21H19FN4O4
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.13903326
Names & identifiers
- Preferred name
- 3-[6-(5-{5-fluoro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]propanoic acid
- IUPAC
- 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
Names & synonyms
SCHEMBL1420408ZECVSMWAXICNGE-UHFFFAOYSA-N3-[6-(5-{5-fluoro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]propanoic acid
Database identifiers
- PubChem CID
- 44547019
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
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Related reactions
2 records
Compound notes
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