2-(3-methoxyphenyl)-5-(5-methyl-1H-imidazol-4-yl)-1,3,4-oxadiazole
Basic information
- CAS
90017-08-6- Standard SMILES
COc1cccc(-c2nnc(-c3nc[nH]c3C)o2)c1- InChIKey
PLBTYGQLAFATNI-UHFFFAOYSA-N- Molecular formula
- C13H12N4O2
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.09602564
Names & identifiers
- Preferred name
- 2-(3-methoxyphenyl)-5-(5-methyl-1H-imidazol-4-yl)-1,3,4-oxadiazole
- IUPAC
- 2-(3-methoxyphenyl)-5-(5-methyl-1H-imidazol-4-yl)-1,3,4-oxadiazole
Names & synonyms
NSC35176490017-08-6DTXSID90419561NSC-351764(2Z)-5-(3-Methoxyphenyl)-2-(5-methyl-4H-imidazol-4-ylidene)-2,3-dihydro-1,3,4-oxadiazole
Database identifiers
- CAS
90017-08-6- PubChem CID
- 336728
- DTXSID
DTXSID90419561
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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