Basic information
- CAS
59646-37-6- Standard SMILES
Cc1cccc(-c2nnc(-c3cccc(C)c3)o2)c1- InChIKey
OHWQVYVPAAGBHW-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 2,5-bis(3-methylphenyl)-
- IUPAC
- 2,5-bis(3-methylphenyl)-1,3,4-oxadiazole
- English name
- 2,5-BIS(3-METHYLPHENYL)-1,3,4-OXADIAZOLE
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
2,5-Bis(3-methylphenyl)-1,3,4-oxadiazole59646-37-62b-Ppd1,3,4-OXADIAZOLE, 2,5-BIS(3-METHYLPHENYL)-BRN 00195681,3,4-Oxadiazole, 2,5-di-m-tolyl-DTXSID902083112-27-00-00649 (Beilstein Handbook Reference)NSC 90471RefChem:216897DTXCID101308021,3,4-Oxadiazole, 2,5-di-m-tolyl-(7CI)
Show more names
NSC-90471NSC904712,5-Di-m-tolyl-1,3,4-oxadiazoleQSZ6A5EW3FCambridge id 5302874SCHEMBL11674120STK709008AKOS001586816
Database identifiers
- CAS
59646-37-6- PubChem CID
- 43052
- DTXSID
DTXSID90208311- UNII
- QSZ6A5EW3F
- Nikkaji
- J921.032F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…