N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide

C24H19FN6O3 — CID 50841415

About N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide

N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide (PubChem CID 50841415) has the molecular formula C24H19FN6O3 and a molecular weight of 458.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
• PubChem CID: 50841415
• Molecular Formula: C24H19FN6O3
• Molecular Weight: 458.45 g/mol
• Exact Mass: 458.15
• IUPAC Name: N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
• SMILES: CCc1ccccc1NC(=O)Cn1nc2c(-c3nc(-c4ccc(F)cc4)no3)cccn2c1=O
• InChI: InChI=1S/C24H19FN6O3/c1-2-15-6-3-4-8-19(15)26-20(32)14-31-24(33)30-13-5-7-18(22(30)28-31)23-27-21(29-34-23)16-9-11-17(25)12-10-16/h3-13H,2,14H2,1H3,(H,26,32)
• InChIKey: QBGDMPOBTPLHGF-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 107.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.45
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?

The IUPAC name of N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide (CID 50841415) is N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide.

What is the SMILES notation for N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?

The canonical SMILES for N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide is CCc1ccccc1NC(=O)Cn1nc2c(-c3nc(-c4ccc(F)cc4)no3)cccn2c1=O.

What is the InChIKey of N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?

The InChIKey is QBGDMPOBTPLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O3/c1-2-15-6-3-4-8-19(15)26-20(32)14-31-24(33)30-13-5-7-18(22(30)28-31)23-27-21(29-34-23)16-9-11-17(25)12-10-16/h3-13H,2,14H2,1H3,(H,26,32).

What are the key properties of N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?

N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide has a molecular weight of 458.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 50841415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).