5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide

C26H31N3O4 — CID 50754362

About 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide

5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 50754362) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 50754362
• Molecular Formula: C26H31N3O4
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.23
• IUPAC Name: 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• SMILES: CCOc1ccc(-c2cc(C(=O)NCC(c3ccc(OC)cc3)N3CCCCC3)no2)cc1
• InChI: InChI=1S/C26H31N3O4/c1-3-32-22-13-9-20(10-14-22)25-17-23(28-33-25)26(30)27-18-24(29-15-5-4-6-16-29)19-7-11-21(31-2)12-8-19/h7-14,17,24H,3-6,15-16,18H2,1-2H3,(H,27,30)
• InChIKey: REINJJNRKXUGBF-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide (CID 50754362) is 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)NCC(c3ccc(OC)cc3)N3CCCCC3)no2)cc1.

What is the InChIKey of 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is REINJJNRKXUGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-3-32-22-13-9-20(10-14-22)25-17-23(28-33-25)26(30)27-18-24(29-15-5-4-6-16-29)19-7-11-21(31-2)12-8-19/h7-14,17,24H,3-6,15-16,18H2,1-2H3,(H,27,30).

What are the key properties of 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50754362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).