Basic information
- Standard SMILES
Cc1nc(-c2cc3cccc(OC[C@@H]4CO4)c3o2)no1- InChIKey
MCXVLPWNNAVFDY-JTQLQIEISA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Names & identifiers
- Preferred name
- (s)-3-(7-Glycidyloxybenzo(b)furan-2-yl)-5-methyl-1,2,4-oxadiazole
- IUPAC
- 5-methyl-3-[7-[[(2S)-oxiran-2-yl]methoxy]-1-benzofuran-2-yl]-1,2,4-oxadiazole
Names & synonyms
SCHEMBL5584756MCXVLPWNNAVFDY-JTQLQIEISA-N(S) -3-(7-glycidyloxybenzo(b)furan-2-yl)-5-methyl-1,2,4-oxadiazole(s)-3-(7-glycidyloxybenzo(b)furan-2-yl)-5-methyl-1,2,4-oxadiazole
Database identifiers
- PubChem CID
- 60078028
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
2 records
Compound notes
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