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

C14H8Cl2FN3O — CID 62945327

IUPAC5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(Cl)ccc1-c1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C14H8Cl2FN3O/c15-7-1-3-10(12(18)5-7)14-19-13(20-21-14)9-4-2-8(17)6-11(9)16/h1-6H,18H2
InChIKeyZXAYCBSEQBJWML-UHFFFAOYSA-N
MW324.14 g/mol
LogP4.43
Rot. Bonds2

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

5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 62945327) has the molecular formula C14H8Cl2FN3O and a molecular weight of 324.14 g/mol. Its IUPAC name is 5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID62945327
Molecular FormulaC14H8Cl2FN3O
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(Cl)ccc1-c1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C14H8Cl2FN3O/c15-7-1-3-10(12(18)5-7)14-19-13(20-21-14)9-4-2-8(17)6-11(9)16/h1-6H,18H2
InChIKeyZXAYCBSEQBJWML-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-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388389
5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63094638
2-bromo-5-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813740
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 62945325
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670695
5-chloro-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104788809
4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79392513
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82811580
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 62945327) is 5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1cc(Cl)ccc1-c1nc(-c2ccc(F)cc2Cl)no1.
What is the InChIKey of 5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is ZXAYCBSEQBJWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O/c15-7-1-3-10(12(18)5-7)14-19-13(20-21-14)9-4-2-8(17)6-11(9)16/h1-6H,18H2.
What are the key properties of 5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
5-chloro-2-[3-(2-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-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 62945327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).