Ethyl 5-(3,4-dimethoxybenzyl)-1,2,4-oxadiazole-3-carboxylate

HCID 63379366
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Basic information

Standard SMILES
CCOC(=O)c1noc(Cc2ccc(OC)c(OC)c2)n1
InChIKey
HHEIKIIQXDDCDB-UHFFFAOYSA-N
Molecular formula
C14H16N2O5
Average molar mass
292.29 g/mol
Monoisotopic mass
292.10592162

Names & identifiers

Preferred name
Ethyl 5-(3,4-dimethoxybenzyl)-1,2,4-oxadiazole-3-carboxylate
IUPAC
ethyl 5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylate

Names & synonyms

SCHEMBL892705HHEIKIIQXDDCDB-UHFFFAOYSA-NAKOS012685495ethyl 5-(3,4-dimethoxybenzyl)-1,2,4-oxadiazole-3-carboxylate

Database identifiers

PubChem CID
63379366

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
83.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
21

Related reactions

5 records
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Compound notes

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