Basic information
- CAS
54494-10-9- Standard SMILES
Cc1cccc(-c2nc(-c3ccccc3)no2)c1- InChIKey
DAUYEEDADHUVRJ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.09496301
Names & identifiers
- Preferred name
- 5-(3-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
- IUPAC
- 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole
Names & synonyms
5-(3-Methylphenyl)-3-phenyl-1,2,4-oxadiazole54494-10-9DTXSID00341960RefChem:299721DTXCID902930401,2,4-Oxadiazole, 5-(3-methylphenyl)-3-phenyl-CHEMBL3964321SCHEMBL29012669SCHEMBL30414780DAUYEEDADHUVRJ-UHFFFAOYSA-NSTK115498AKOS003816698
Show more names
DB-1134735-(3-Methylphenyl)-3-phenyl-1,2,4-oxadiazole #
Database identifiers
- CAS
54494-10-9- PubChem CID
- 577306
- DTXSID
DTXSID00341960- ChEMBL
CHEMBL3964321- Nikkaji
- J529.940C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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