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

C14H8Cl2FN3O — CID 63094638

IUPAC5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(Cl)ccc1-c1nc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C14H8Cl2FN3O/c15-8-2-3-9(12(18)6-8)14-19-13(20-21-14)7-1-4-11(17)10(16)5-7/h1-6H,18H2
InChIKeyHSRCHLSSSNVSEM-UHFFFAOYSA-N
MW324.14 g/mol
LogP4.43
Rot. Bonds2

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

5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 63094638) has the molecular formula C14H8Cl2FN3O and a molecular weight of 324.14 g/mol. Its IUPAC name is 5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID63094638
Molecular FormulaC14H8Cl2FN3O
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(Cl)ccc1-c1nc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C14H8Cl2FN3O/c15-8-2-3-9(12(18)6-8)14-19-13(20-21-14)7-1-4-11(17)10(16)5-7/h1-6H,18H2
InChIKeyHSRCHLSSSNVSEM-UHFFFAOYSA-N
XLogP4.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62945327
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811657
4-bromo-3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296567
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
4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 100559235
5-chloro-2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388389
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82789550
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524721
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 63094638) is 5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1cc(Cl)ccc1-c1nc(-c2ccc(F)c(Cl)c2)no1.
What is the InChIKey of 5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is HSRCHLSSSNVSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O/c15-8-2-3-9(12(18)6-8)14-19-13(20-21-14)7-1-4-11(17)10(16)5-7/h1-6H,18H2.
What are the key properties of 5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 324.14 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 63094638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).