N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

C21H21FN6O2 — CID 53179517

About N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (PubChem CID 53179517) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
• PubChem CID: 53179517
• Molecular Formula: C21H21FN6O2
• Molecular Weight: 408.44 g/mol
• Exact Mass: 408.17
• IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
• SMILES: CC(C)c1noc(-c2ccn3c(CC(=O)NC(C)c4ccc(F)cc4)nnc3c2)n1
• InChI: InChI=1S/C21H21FN6O2/c1-12(2)20-24-21(30-27-20)15-8-9-28-17(10-15)25-26-18(28)11-19(29)23-13(3)14-4-6-16(22)7-5-14/h4-10,12-13H,11H2,1-3H3,(H,23,29)
• InChIKey: JVDAYGXBFGIZIG-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 98.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.44
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?

The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (CID 53179517) is N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.

What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?

The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is CC(C)c1noc(-c2ccn3c(CC(=O)NC(C)c4ccc(F)cc4)nnc3c2)n1.

What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?

The InChIKey is JVDAYGXBFGIZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-12(2)20-24-21(30-27-20)15-8-9-28-17(10-15)25-26-18(28)11-19(29)23-13(3)14-4-6-16(22)7-5-14/h4-10,12-13H,11H2,1-3H3,(H,23,29).

What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?

N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide has a molecular weight of 408.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 53179517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).