3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile

C11H8ClN3O — CID 106523544

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESN#CCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H8ClN3O/c12-9-5-3-8(4-6-9)11-14-10(16-15-11)2-1-7-13/h3-6H,1-2H2
InChIKeyBGDCHQUGOMSFIQ-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.85
Rot. Bonds3

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile (PubChem CID 106523544) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
PubChem CID106523544
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESN#CCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H8ClN3O/c12-9-5-3-8(4-6-9)11-14-10(16-15-11)2-1-7-13/h3-6H,1-2H2
InChIKeyBGDCHQUGOMSFIQ-UHFFFAOYSA-N
XLogP2.85
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524709
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 16779790
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 55201837
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523542
sodium 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 162665177
2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]guanidine
CID 111111928
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
CID 7385191
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile (CID 106523544) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile is N#CCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The InChIKey is BGDCHQUGOMSFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-9-5-3-8(4-6-9)11-14-10(16-15-11)2-1-7-13/h3-6H,1-2H2.
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile has a molecular weight of 233.66 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile is sourced from PubChem (CID 106523544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).