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

C24H20N6O4 — CID 50841096

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

N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide (PubChem CID 50841096) has the molecular formula C24H20N6O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
• PubChem CID: 50841096
• Molecular Formula: C24H20N6O4
• Molecular Weight: 456.46 g/mol
• Exact Mass: 456.15
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
• SMILES: COc1ccc(CNC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1
• InChI: InChI=1S/C24H20N6O4/c1-33-18-11-9-16(10-12-18)14-25-20(31)15-30-24(32)29-13-5-8-19(22(29)27-30)23-26-21(28-34-23)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,31)
• InChIKey: FMOCFJUIDQNBIL-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 116.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.46
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide (CID 50841096) is N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide.

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

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide is COc1ccc(CNC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1.

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

The InChIKey is FMOCFJUIDQNBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O4/c1-33-18-11-9-16(10-12-18)14-25-20(31)15-30-24(32)29-13-5-8-19(22(29)27-30)23-26-21(28-34-23)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,31).

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

N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide has a molecular weight of 456.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 50841096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).