3-Chloromethyl-5-cyanomethyl-1,2,4-oxadiazole

HCID 20161213
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Basic information

Standard SMILES
N#CCc1nc(CCl)no1
InChIKey
CGVIPCTWCQEGIY-UHFFFAOYSA-N
Molecular formula
C5H4ClN3O
Average molar mass
157.56 g/mol

Names & identifiers

Preferred name
3-Chloromethyl-5-cyanomethyl-1,2,4-oxadiazole
IUPAC
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]acetonitrile

Names & synonyms

SCHEMBL7321122CGVIPCTWCQEGIY-UHFFFAOYSA-N3-chloromethyl-5-cyanomethyl-1,2,4-oxadiazole(3-chloromethyl-[1,2,4]oxadiazol-5-yl)-acetonitrile

Database identifiers

PubChem CID
20161213

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
62.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
10

Related reactions

1 records
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Compound notes

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