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

C25H28BrN3O3 — CID 35582679

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

5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 35582679) has the molecular formula C25H28BrN3O3 and a molecular weight of 498.42 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 35582679
• Molecular Formula: C25H28BrN3O3
• Molecular Weight: 498.42 g/mol
• Exact Mass: 497.13
• IUPAC Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• SMILES: CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCCCC2)cc1
• InChI: InChI=1S/C25H28BrN3O3/c1-2-31-21-12-8-18(9-13-21)23(29-14-4-3-5-15-29)17-27-25(30)22-16-24(32-28-22)19-6-10-20(26)11-7-19/h6-13,16,23H,2-5,14-15,17H2,1H3,(H,27,30)/t23-/m0/s1
• InChIKey: WEGJRDMRYLTXBF-QHCPKHFHSA-N
• XLogP: 5.46
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.42
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide (CID 35582679) is 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide is CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCCCC2)cc1.

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

The InChIKey is WEGJRDMRYLTXBF-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H28BrN3O3/c1-2-31-21-12-8-18(9-13-21)23(29-14-4-3-5-15-29)17-27-25(30)22-16-24(32-28-22)19-6-10-20(26)11-7-19/h6-13,16,23H,2-5,14-15,17H2,1H3,(H,27,30)/t23-/m0/s1.

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

5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 498.42 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 35582679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).