Basic information
- CAS
345994-69-6- Standard SMILES
Cc1ccccc1-c1nnc(Cc2ccccc2)o1- InChIKey
JZHCEMJHDDBPPQ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 2-Benzyl-5-(2-methylphenyl)-1,3,4-oxadiazole
- IUPAC
- 2-benzyl-5-(2-methylphenyl)-1,3,4-oxadiazole
Names & synonyms
2-benzyl-5-(2-methylphenyl)-1,3,4-oxadiazole345994-69-62-(2-Methylphenyl)-5-(phenylmethyl)-1,3,4-oxadiazoleCambridge id 6879067MLS000665485CHEMBL1485264DTXSID201220215HMS2574D16MFCD01617925AKOS001804709SMR000270723SR-01000245602
Show more names
SR-01000245602-1
Database identifiers
- CAS
345994-69-6- PubChem CID
- 799221
- DTXSID
DTXSID201220215- ChEMBL
CHEMBL1485264
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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