Basic information
- CAS
22020-68-4- Standard SMILES
Cc1ccccc1-c1nnc(-c2ccccc2C)o1- InChIKey
PMGVHHSGIQBGCK-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(2-methylphenyl)-
- IUPAC
- 2,5-bis(2-methylphenyl)-1,3,4-oxadiazole
Names & synonyms
2,5-Bis(2-methylphenyl)-1,3,4-oxadiazole22020-68-41,3,4-OXADIAZOLE, 2,5-BIS(2-METHYLPHENYL)-BRN 0223906DTXSID70176488NSC 904700-27-00-00595 (Beilstein Handbook Reference)RefChem:216895DTXCID5098979bis(2-methylphenyl)-1,3,4-oxadiazoleMLS000547603NSC-90470
Show more names
SMR000113784NSC90470TA5S7QH7CXcid_30897SCHEMBL7756394CHEMBL1570824BDBM763912,5-ditolyl-1,3,4-oxadiazole
Database identifiers
- CAS
22020-68-4- PubChem CID
- 30897
- DTXSID
DTXSID70176488- ChEMBL
CHEMBL1570824- UNII
- TA5S7QH7CX
- Nikkaji
- J935.049G
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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