3-{[2-(4-Methoxyphenyl)hydrazinylidene](phenyl)methyl}-5-phenyl-1,2,4-oxadiazole
Basic information
- CAS
80815-85-6- Standard SMILES
COc1ccc(NN=C(c2ccccc2)c2noc(-c3ccccc3)n2)cc1- InChIKey
WTAMAFUULWNDDK-UHFFFAOYSA-N- Molecular formula
- C22H18N4O2
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.14297583
Names & identifiers
- Preferred name
- 3-{[2-(4-Methoxyphenyl)hydrazinylidene](phenyl)methyl}-5-phenyl-1,2,4-oxadiazole
- IUPAC
- 4-methoxy-N-[[phenyl-(5-phenyl-1,2,4-oxadiazol-3-yl)methylidene]amino]aniline
Names & synonyms
DTXSID1010015393-{[2-(4-Methoxyphenyl)hydrazinylidene](phenyl)methyl}-5-phenyl-1,2,4-oxadiazole
Database identifiers
- CAS
80815-85-6- PubChem CID
- 337620
- DTXSID
DTXSID101001539
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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