5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

C28H28N4O4 — CID 23904943

About 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23904943) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 23904943
• Molecular Formula: C28H28N4O4
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.21
• IUPAC Name: 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(CCN(Cc2cc(C(=O)NCc3ccc(C)cc3)no2)C(=O)c2cccnc2)cc1
• InChI: InChI=1S/C28H28N4O4/c1-20-5-7-22(8-6-20)17-30-27(33)26-16-25(36-31-26)19-32(28(34)23-4-3-14-29-18-23)15-13-21-9-11-24(35-2)12-10-21/h3-12,14,16,18H,13,15,17,19H2,1-2H3,(H,30,33)
• InChIKey: DYMJFQPEWUIWSW-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 23904943) is 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CCN(Cc2cc(C(=O)NCc3ccc(C)cc3)no2)C(=O)c2cccnc2)cc1.

What is the InChIKey of 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is DYMJFQPEWUIWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-20-5-7-22(8-6-20)17-30-27(33)26-16-25(36-31-26)19-32(28(34)23-4-3-14-29-18-23)15-13-21-9-11-24(35-2)12-10-21/h3-12,14,16,18H,13,15,17,19H2,1-2H3,(H,30,33).

What are the key properties of 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?

5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23904943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).