4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile

C15H7ClFN3O — CID 106524721

IUPAC4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cc1
InChIInChI=1S/C15H7ClFN3O/c16-12-7-11(5-6-13(12)17)14-19-15(21-20-14)10-3-1-9(8-18)2-4-10/h1-7H
InChIKeyKRHCHCVAXCLUNG-UHFFFAOYSA-N
MW299.69 g/mol
LogP4.07
Rot. Bonds2

About 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile

4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 106524721) has the molecular formula C15H7ClFN3O and a molecular weight of 299.69 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID106524721
Molecular FormulaC15H7ClFN3O
Molecular Weight299.69 g/mol
Exact Mass299.03
IUPAC Name4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cc1
InChIInChI=1S/C15H7ClFN3O/c16-12-7-11(5-6-13(12)17)14-19-15(21-20-14)10-3-1-9(8-18)2-4-10/h1-7H
InChIKeyKRHCHCVAXCLUNG-UHFFFAOYSA-N
XLogP4.07
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 54.07
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]benzonitrile
CID 106524717
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811657
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259997
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524709
5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63094638
3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 112571789
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 107283100
4-bromo-3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296567
4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676829
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030909

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 106524721) is 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cc1.
What is the InChIKey of 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is KRHCHCVAXCLUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClFN3O/c16-12-7-11(5-6-13(12)17)14-19-15(21-20-14)10-3-1-9(8-18)2-4-10/h1-7H.
What are the key properties of 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 299.69 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 106524721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).