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

C23H14ClFN6O2 — CID 57378623

IUPAC4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc(/C=C/c3nnc(-c4ccc(F)cc4)n3-c3ccccc3Cl)o2)cc[nH]1
InChIInChI=1S/C23H14ClFN6O2/c24-17-3-1-2-4-18(17)31-19(27-29-22(31)14-5-7-16(25)8-6-14)9-10-21-28-30-23(33-21)15-11-12-26-20(32)13-15/h1-13H,(H,26,32)/b10-9+
InChIKeyRFVXAPQASMCCHK-MDZDMXLPSA-N
MW460.86 g/mol
LogP4.64
Rot. Bonds5

About 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-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-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 57378623) has the molecular formula C23H14ClFN6O2 and a molecular weight of 460.86 g/mol. Its IUPAC name is 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-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-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID57378623
Molecular FormulaC23H14ClFN6O2
Molecular Weight460.86 g/mol
Exact Mass460.09
IUPAC Name4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc(/C=C/c3nnc(-c4ccc(F)cc4)n3-c3ccccc3Cl)o2)cc[nH]1
InChIInChI=1S/C23H14ClFN6O2/c24-17-3-1-2-4-18(17)31-19(27-29-22(31)14-5-7-16(25)8-6-14)9-10-21-28-30-23(33-21)15-11-12-26-20(32)13-15/h1-13H,(H,26,32)/b10-9+
InChIKeyRFVXAPQASMCCHK-MDZDMXLPSA-N
XLogP4.64
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-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-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 57378623) is 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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(F)cc4)n3-c3ccccc3Cl)o2)cc[nH]1.
What is the InChIKey of 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is RFVXAPQASMCCHK-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H14ClFN6O2/c24-17-3-1-2-4-18(17)31-19(27-29-22(31)14-5-7-16(25)8-6-14)9-10-21-28-30-23(33-21)15-11-12-26-20(32)13-15/h1-13H,(H,26,32)/b10-9+.
What are the key properties of 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-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-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 460.86 g/mol, XLogP of 4.64, 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-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 57378623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).