4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

C24H17ClN6O4S — CID 57378742

IUPAC4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4cc[nH]c(=O)c4)o3)n2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H17ClN6O4S/c1-36(33,34)17-8-6-15(7-9-17)23-29-27-20(31(23)19-5-3-2-4-18(19)25)10-11-22-28-30-24(35-22)16-12-13-26-21(32)14-16/h2-14H,1H3,(H,26,32)/b11-10+
InChIKeyGWAYAXNMYAISEF-ZHACJKMWSA-N
MW520.96 g/mol
LogP3.90
Rot. Bonds6

About 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 57378742) has the molecular formula C24H17ClN6O4S and a molecular weight of 520.96 g/mol. Its IUPAC name is 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID57378742
Molecular FormulaC24H17ClN6O4S
Molecular Weight520.96 g/mol
Exact Mass520.07
IUPAC Name4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4cc[nH]c(=O)c4)o3)n2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H17ClN6O4S/c1-36(33,34)17-8-6-15(7-9-17)23-29-27-20(31(23)19-5-3-2-4-18(19)25)10-11-22-28-30-24(35-22)16-12-13-26-21(32)14-16/h2-14H,1H3,(H,26,32)/b11-10+
InChIKeyGWAYAXNMYAISEF-ZHACJKMWSA-N
XLogP3.90
TPSA136.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.96
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 57378742) is 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4cc[nH]c(=O)c4)o3)n2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is GWAYAXNMYAISEF-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H17ClN6O4S/c1-36(33,34)17-8-6-15(7-9-17)23-29-27-20(31(23)19-5-3-2-4-18(19)25)10-11-22-28-30-24(35-22)16-12-13-26-21(32)14-16/h2-14H,1H3,(H,26,32)/b11-10+.
What are the key properties of 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 520.96 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 57378742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).