3-{(E)-2-carboxyvinyl}-5-(4-cyanophenyl)-1,2,4-oxadiazole

HCID 19959232
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Basic information

Standard SMILES
N#Cc1ccc(-c2nc(/C=C/C(=O)O)no2)cc1
InChIKey
OSSHGZQWKSSPKH-AATRIKPKSA-N
Molecular formula
C12H7N3O3
Average molar mass
241.2 g/mol

Names & identifiers

Preferred name
3-{(E)-2-carboxyvinyl}-5-(4-cyanophenyl)-1,2,4-oxadiazole
IUPAC
(E)-3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]prop-2-enoic acid

Names & synonyms

SCHEMBL8825190OSSHGZQWKSSPKH-AATRIKPKSA-N3-{(E)-2-carboxyvinyl}-5-(4-cyanophenyl)-1,2,4-oxadiazole

Database identifiers

PubChem CID
19959232

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
18

Related reactions

2 records
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Compound notes

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