2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Basic information
- CAS
90754-85-1- Standard SMILES
COc1cc(OC)c(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1OC- InChIKey
QFQLSDQUAUFMTJ-UHFFFAOYSA-N- Molecular formula
- C18H16N2O6
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 356.10083623
Names & identifiers
- Preferred name
- 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Names & synonyms
90754-85-1DTXSID409201922-(2H-1,3-BENZODIOXOL-5-YL)-5-(2,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOLERefChem:1060956DTXCID6013491102-(1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole1,3,4-Oxadiazole, 2-(1,3-benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
90754-85-1- PubChem CID
- 2844744
- DTXSID
DTXSID40920192
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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