2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H19F3N4O5 — CID 53100893

About 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 53100893) has the molecular formula C24H19F3N4O5 and a molecular weight of 500.43 g/mol. Its IUPAC name is 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 53100893
• Molecular Formula: C24H19F3N4O5
• Molecular Weight: 500.43 g/mol
• Exact Mass: 500.13
• IUPAC Name: 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3=O)n2)cc1OC
• InChI: InChI=1S/C24H19F3N4O5/c1-34-18-9-8-14(11-19(18)35-2)21-29-22(36-30-21)17-7-4-10-31(23(17)33)13-20(32)28-16-6-3-5-15(12-16)24(25,26)27/h3-12H,13H2,1-2H3,(H,28,32)
• InChIKey: GETOWCZKVYSGDM-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 108.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.43
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 53100893) is 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3=O)n2)cc1OC.

What is the InChIKey of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is GETOWCZKVYSGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O5/c1-34-18-9-8-14(11-19(18)35-2)21-29-22(36-30-21)17-7-4-10-31(23(17)33)13-20(32)28-16-6-3-5-15(12-16)24(25,26)27/h3-12H,13H2,1-2H3,(H,28,32).

What are the key properties of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?

2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 500.43 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53100893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).