5-Methyl-3-(1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole
Basic information
- CAS
162969-66-6- Standard SMILES
Cc1nc(-c2ncon2)no1- InChIKey
ATAUEJQWRCGVEG-UHFFFAOYSA-N- Molecular formula
- C5H4N4O2
- Average molar mass
- 152.11 g/mol
- Monoisotopic mass
- 152.03342538
Names & identifiers
- Preferred name
- 5-Methyl-3-(1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole
- IUPAC
- 5-methyl-3-(1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole
Names & synonyms
5-methyl-3,3'-bi-1,2,4-oxadiazole5-methyl-3-(1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazoleDTXSID701300012AKOS024273540162969-66-6ST0005705-Methyl-3,3a(2)-bi-1,2,4-oxadiazole
Database identifiers
- CAS
162969-66-6- PubChem CID
- 1244575
- DTXSID
DTXSID701300012
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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