2-[4-[(4-Methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
Basic information
- CAS
338393-69-4- Standard SMILES
Cc1ccc(COc2ccc(-c3nnco3)cc2)cc1- InChIKey
TYQWIGAIJAUOMY-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- 2-[4-[(4-Methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
- IUPAC
- 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
Names & synonyms
338393-69-42-{4-[(4-methylphenyl)methoxy]phenyl}-1,3,4-oxadiazole2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole2-(4-((4-Methylphenyl)methoxy)phenyl)-1,3,4-oxadiazoleRefChem:2518032-(4-((4-Methylbenzyl)oxy)phenyl)-1,3,4-oxadiazole2-{4-[(4-methylbenzyl)oxy]phenyl}-1,3,4-oxadiazoleOprea1_647353MLS001166254CHEMBL1429759DTXSID601210866HMS2885G03
Show more names
AKOS005083204CCG-337662SMR000549966CS-02813431P-061Z26146302
Database identifiers
- CAS
338393-69-4- PubChem CID
- 1490886
- DTXSID
DTXSID601210866- ChEMBL
CHEMBL1429759
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
Solubility2.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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