2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide

C24H37N5O5 — CID 42833789

About 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide

2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 42833789) has the molecular formula C24H37N5O5 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 42833789
• Molecular Formula: C24H37N5O5
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.28
• IUPAC Name: 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
• SMILES: COc1cccc(CN(CCN2CCOCC2)Cc2nc(C(=O)NCCN(C)C)co2)c1OC
• InChI: InChI=1S/C24H37N5O5/c1-27(2)9-8-25-24(30)20-18-34-22(26-20)17-29(11-10-28-12-14-33-15-13-28)16-19-6-5-7-21(31-3)23(19)32-4/h5-7,18H,8-17H2,1-4H3,(H,25,30)
• InChIKey: PTFTXFJOZKMEQJ-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 92.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide (CID 42833789) is 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide is COc1cccc(CN(CCN2CCOCC2)Cc2nc(C(=O)NCCN(C)C)co2)c1OC.

What is the InChIKey of 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide?

The InChIKey is PTFTXFJOZKMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O5/c1-27(2)9-8-25-24(30)20-18-34-22(26-20)17-29(11-10-28-12-14-33-15-13-28)16-19-6-5-7-21(31-3)23(19)32-4/h5-7,18H,8-17H2,1-4H3,(H,25,30).

What are the key properties of 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide?

2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 1.32, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42833789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).