Basic information
- CAS
724744-62-1- Standard SMILES
COc1nc(C)ccc1-c1noc(-c2cccs2)n1- InChIKey
QXVOJQRXLVOULE-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2S
- Average molar mass
- 273.31 g/mol
- Monoisotopic mass
- 273.05719778
Names & identifiers
- Preferred name
- 3-(2-Methoxy-6-methylpyridin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
- IUPAC
- 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
Names & synonyms
3-(2-methoxy-6-methylpyridin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole724744-62-1MLS000333507SMR0004376732-Methoxy-6-methyl-3-(5-thiophen-2-yl-[1,2,4]oxadiazol-3-yl)-pyridine2-methoxy-6-methyl-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridinecid_852902CHEMBL1517624BDBM72697DTXSID401322116HMS2810B11STL353063
Show more names
AKOS000632074CCG-1193853-(2-methoxy-6-methyl-3-pyridyl)-5-(2-thienyl)-1,2,4-oxadiazole3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole3-(2-methoxy-6-methyl-pyridin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole3-(2-methoxy-6-methylpyridin-3-yl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
Database identifiers
- CAS
724744-62-1- PubChem CID
- 852902
- DTXSID
DTXSID401322116- ChEMBL
CHEMBL1517624
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility2.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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