1-[2-[(4-Methoxyphenyl)methyl]-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethanone
Basic information
- CAS
351338-99-3- Standard SMILES
COc1ccc(CC2(C)OC(c3ccncc3)=NN2C(C)=O)cc1- InChIKey
HROQBFAOTBDFQN-UHFFFAOYSA-N- Molecular formula
- C18H19N3O3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.14264148
Names & identifiers
- Preferred name
- 1-[2-[(4-Methoxyphenyl)methyl]-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethanone
- IUPAC
- 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethanone
Names & synonyms
1-[2-(4-methoxybenzyl)-2-methyl-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl]ethanone1-(2-(4-methoxybenzyl)-2-methyl-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)ethanoneChemDiv3_0061841-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethanoneOprea1_389876Oprea1_837344351338-99-3MLS000718185CHEMBL1540589DTXSID001320675HMS1490J02HMS2727B03
Show more names
1-{2-[(4-Methoxyphenyl)methyl]-2-methyl-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-oneSTK047984AKOS000608742AKOS022008667IDI1_024094SMR000279953ST038542SR-01000479817
Database identifiers
- CAS
351338-99-3- PubChem CID
- 3136273
- DTXSID
DTXSID001320675- ChEMBL
CHEMBL1540589
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Experimental & physicochemical properties
Solubility43.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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