Basic information
- CAS
16112-24-6- Standard SMILES
Cc1ccc(-c2nc(-c3ccccc3)no2)cc1- InChIKey
QXOSABCPDHNIAL-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.09496301
Names & identifiers
- Preferred name
- 5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
- IUPAC
- 5-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
Names & synonyms
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole16112-24-6DTXSID90341959RefChem:300068DTXCID802930391,2,4-Oxadiazole, 5-(4-methylphenyl)-3-phenyl-MLS000533421SMR0001408193-phenyl-5-(p-tolyl)-1,2,4-oxadiazoleChemDiv3_001914Cambridge id 5929232cid_577305
Show more names
CHEMBL1451791SCHEMBL11549559BDBM48270QXOSABCPDHNIAL-UHFFFAOYSA-NHMS1478G22HMS2174O17CCG-17713STK117643
Database identifiers
- CAS
16112-24-6- PubChem CID
- 577305
- DTXSID
DTXSID90341959- ChEMBL
CHEMBL1451791- Nikkaji
- J529.941A
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
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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