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

C15H7ClFN3O — CID 106524717

IUPAC3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)c1
InChIInChI=1S/C15H7ClFN3O/c16-12-7-10(4-5-13(12)17)14-19-15(21-20-14)11-3-1-2-9(6-11)8-18/h1-7H
InChIKeyHZGBSJANMUUYKM-UHFFFAOYSA-N
MW299.69 g/mol
LogP4.07
Rot. Bonds2

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

3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 106524717) has the molecular formula C15H7ClFN3O and a molecular weight of 299.69 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID106524717
Molecular FormulaC15H7ClFN3O
Molecular Weight299.69 g/mol
Exact Mass299.03
IUPAC Name3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)c1
InChIInChI=1S/C15H7ClFN3O/c16-12-7-10(4-5-13(12)17)14-19-15(21-20-14)11-3-1-2-9(6-11)8-18/h1-7H
InChIKeyHZGBSJANMUUYKM-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

4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524721
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 59556739
3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106523489
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811657
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 113233875
3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 112571789
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]benzonitrile
CID 156506824
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259997
3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526038
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524709

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 106524717) is 3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1cccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)c1.
What is the InChIKey of 3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is HZGBSJANMUUYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClFN3O/c16-12-7-10(4-5-13(12)17)14-19-15(21-20-14)11-3-1-2-9(6-11)8-18/h1-7H.
What are the key properties of 3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
3-[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 3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 106524717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).