5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide

C23H27N3O3S — CID 50754292

About 5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide

5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 50754292) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 50754292
• Molecular Formula: C23H27N3O3S
• Molecular Weight: 425.55 g/mol
• Exact Mass: 425.18
• IUPAC Name: 5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
• SMILES: CCOc1ccc(-c2cc(C(=O)NCC(c3cccs3)N3CCCCC3)no2)cc1
• InChI: InChI=1S/C23H27N3O3S/c1-2-28-18-10-8-17(9-11-18)21-15-19(25-29-21)23(27)24-16-20(22-7-6-14-30-22)26-12-4-3-5-13-26/h6-11,14-15,20H,2-5,12-13,16H2,1H3,(H,24,27)
• InChIKey: JHHDVJZIUVLFJY-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.55
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide (CID 50754292) is 5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)NCC(c3cccs3)N3CCCCC3)no2)cc1.

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

The InChIKey is JHHDVJZIUVLFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-2-28-18-10-8-17(9-11-18)21-15-19(25-29-21)23(27)24-16-20(22-7-6-14-30-22)26-12-4-3-5-13-26/h6-11,14-15,20H,2-5,12-13,16H2,1H3,(H,24,27).

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

5-(4-ethoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.76, 8 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-piperidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50754292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).