2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole

C24H16BrClN6O3S — CID 57377649

IUPAC2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(Br)cc4)o3)n2-c2ccccc2Cl)nc1
InChIInChI=1S/C24H16BrClN6O3S/c1-36(33,34)17-10-11-19(27-14-17)23-30-28-21(32(23)20-5-3-2-4-18(20)26)12-13-22-29-31-24(35-22)15-6-8-16(25)9-7-15/h2-14H,1H3/b13-12+
InChIKeySJKQICVIIRKXMM-OUKQBFOZSA-N
MW583.86 g/mol
LogP5.37
Rot. Bonds6

About 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole

2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 57377649) has the molecular formula C24H16BrClN6O3S and a molecular weight of 583.86 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID57377649
Molecular FormulaC24H16BrClN6O3S
Molecular Weight583.86 g/mol
Exact Mass581.99
IUPAC Name2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(Br)cc4)o3)n2-c2ccccc2Cl)nc1
InChIInChI=1S/C24H16BrClN6O3S/c1-36(33,34)17-10-11-19(27-14-17)23-30-28-21(32(23)20-5-3-2-4-18(20)26)12-13-22-29-31-24(35-22)15-6-8-16(25)9-7-15/h2-14H,1H3/b13-12+
InChIKeySJKQICVIIRKXMM-OUKQBFOZSA-N
XLogP5.37
TPSA116.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.86
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole 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 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole (CID 57377649) is 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole is CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(Br)cc4)o3)n2-c2ccccc2Cl)nc1.
What is the InChIKey of 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is SJKQICVIIRKXMM-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H16BrClN6O3S/c1-36(33,34)17-10-11-19(27-14-17)23-30-28-21(32(23)20-5-3-2-4-18(20)26)12-13-22-29-31-24(35-22)15-6-8-16(25)9-7-15/h2-14H,1H3/b13-12+.
What are the key properties of 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 583.86 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 57377649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).