3-(2-Ethyl-4-[5-(4-ethyl-5-formyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenyl}-propionic acid

HCID 86646452
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Basic information

Standard SMILES
CCc1cc(-c2nc(-c3cc(C)c(CCC(=O)O)c(CC)c3)no2)sc1C=O
InChIKey
MAQBAUWCGNFCND-UHFFFAOYSA-N
Molecular formula
C21H22N2O4S
Average molar mass
398.5 g/mol

Names & identifiers

Preferred name
3-(2-Ethyl-4-[5-(4-ethyl-5-formyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenyl}-propionic acid
IUPAC
3-[2-ethyl-4-[5-(4-ethyl-5-formylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenyl]propanoic acid

Names & synonyms

SCHEMBL2064428MAQBAUWCGNFCND-UHFFFAOYSA-N3-(2-Ethyl-4-[5-(4-ethyl-5-formyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenyl}-propionic acid

Database identifiers

PubChem CID
86646452

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
122 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
28

Related reactions

1 records
New reaction record

Linked notes

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