5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide

C24H28N4O5 — CID 46141512

About 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide

5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46141512) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 46141512
• Molecular Formula: C24H28N4O5
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.21
• IUPAC Name: 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(=O)NC(C(=O)NCCc3ccccn3)C(C)C)no2)c(OC)c1
• InChI: InChI=1S/C24H28N4O5/c1-15(2)22(24(30)26-12-10-16-7-5-6-11-25-16)27-23(29)19-14-21(33-28-19)18-9-8-17(31-3)13-20(18)32-4/h5-9,11,13-15,22H,10,12H2,1-4H3,(H,26,30)(H,27,29)
• InChIKey: WZOQUGDRQHGDBI-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 115.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide (CID 46141512) is 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NC(C(=O)NCCc3ccccn3)C(C)C)no2)c(OC)c1.

What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is WZOQUGDRQHGDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-15(2)22(24(30)26-12-10-16-7-5-6-11-25-16)27-23(29)19-14-21(33-28-19)18-9-8-17(31-3)13-20(18)32-4/h5-9,11,13-15,22H,10,12H2,1-4H3,(H,26,30)(H,27,29).

What are the key properties of 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide?

5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46141512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).