Basic information
- Standard SMILES
CCN(CC)Cc1sc(-c2nc(-c3ccc(C(=O)O)cc3)no2)cc1C- InChIKey
OIYGMZKPAJQEBK-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3S
- Average molar mass
- 371.5 g/mol
Names & identifiers
- Preferred name
- 4-[5-(5-Diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-benzoic acid
- IUPAC
- 4-[5-[5-(diethylaminomethyl)-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]benzoic acid
Names & synonyms
SCHEMBL2064223OIYGMZKPAJQEBK-UHFFFAOYSA-N4-[5-(5-diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-benzoic acid
Database identifiers
- PubChem CID
- 67265378
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Related reactions
5 records
Compound notes
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