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2-(1-Benzofuran-5-yl)-5-(4-methoxybenzyl)-1,3,4-oxadiazole

HCID 68664381
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1ccc(Cc2nnc(-c3ccc4occc4c3)o2)cc1
InChIKey
LHMLDUKOUAHLSH-UHFFFAOYSA-N
Molecular formula
C18H14N2O3
Average molar mass
306.3 g/mol

Names & identifiers

Preferred name
2-(1-Benzofuran-5-yl)-5-(4-methoxybenzyl)-1,3,4-oxadiazole
IUPAC
2-(1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole

Names & synonyms

SCHEMBL3493562LHMLDUKOUAHLSH-UHFFFAOYSA-N2-(1-benzofuran-5-yl)-5-(4-methoxybenzyl)-1,3,4-oxadiazole

Database identifiers

PubChem CID
68664381

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
61.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
386

Related reactions

1 records
New reaction record
HRID 452716 reaction equation
HRID 452716As productuspto-grants-2013_07

Compound notes

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