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

C23H13Cl3N6O2 — CID 57378741

IUPAC4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc(/C=C/c3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3Cl)o2)cc[nH]1
InChIInChI=1S/C23H13Cl3N6O2/c24-14-5-6-15(17(26)12-14)22-30-28-19(32(22)18-4-2-1-3-16(18)25)7-8-21-29-31-23(34-21)13-9-10-27-20(33)11-13/h1-12H,(H,27,33)/b8-7+
InChIKeyFWXMNOOPVDZKPJ-BQYQJAHWSA-N
MW511.76 g/mol
LogP5.80
Rot. Bonds5

About 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 57378741) has the molecular formula C23H13Cl3N6O2 and a molecular weight of 511.76 g/mol. Its IUPAC name is 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID57378741
Molecular FormulaC23H13Cl3N6O2
Molecular Weight511.76 g/mol
Exact Mass510.02
IUPAC Name4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc(/C=C/c3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3Cl)o2)cc[nH]1
InChIInChI=1S/C23H13Cl3N6O2/c24-14-5-6-15(17(26)12-14)22-30-28-19(32(22)18-4-2-1-3-16(18)25)7-8-21-29-31-23(34-21)13-9-10-27-20(33)11-13/h1-12H,(H,27,33)/b8-7+
InChIKeyFWXMNOOPVDZKPJ-BQYQJAHWSA-N
XLogP5.80
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.76
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 57378741) is 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is O=c1cc(-c2nnc(/C=C/c3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3Cl)o2)cc[nH]1.
What is the InChIKey of 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is FWXMNOOPVDZKPJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H13Cl3N6O2/c24-14-5-6-15(17(26)12-14)22-30-28-19(32(22)18-4-2-1-3-16(18)25)7-8-21-29-31-23(34-21)13-9-10-27-20(33)11-13/h1-12H,(H,27,33)/b8-7+.
What are the key properties of 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 511.76 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 57378741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).