1,3,4-Oxadiazole, 2-(1,3-benzodioxol-5-yl)-5-(2,3,4-trimethoxyphenyl)-
Basic information
- CAS
90754-86-2- Standard SMILES
COc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c(OC)c1OC- InChIKey
NRDNEFCILIAVTL-UHFFFAOYSA-N- Molecular formula
- C18H16N2O6
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 356.10083623
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 2-(1,3-benzodioxol-5-yl)-5-(2,3,4-trimethoxyphenyl)-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazole
Names & synonyms
90754-86-21,3,4-Oxadiazole, 2-(1,3-benzodioxol-5-yl)-5-(2,3,4-trimethoxyphenyl)-RefChem:10525062-(1,3-Benzodioxol-5-yl)-5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazoleCambridge id 5398973DTXSID80920191AB00083996-01SR-01000207865SR-01000207865-12-(2H-1,3-BENZODIOXOL-5-YL)-5-(2,3,4-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOLE
Database identifiers
- CAS
90754-86-2- PubChem CID
- 2844745
- DTXSID
DTXSID80920191
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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