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

C24H26BrN3O3 — CID 42272204

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

5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 42272204) has the molecular formula C24H26BrN3O3 and a molecular weight of 484.39 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 42272204
• Molecular Formula: C24H26BrN3O3
• Molecular Weight: 484.39 g/mol
• Exact Mass: 483.12
• IUPAC Name: 5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)N1CCCCC1
• InChI: InChI=1S/C24H26BrN3O3/c1-30-22-8-4-3-7-19(22)21(28-13-5-2-6-14-28)16-26-24(29)20-15-23(31-27-20)17-9-11-18(25)12-10-17/h3-4,7-12,15,21H,2,5-6,13-14,16H2,1H3,(H,26,29)/t21-/m1/s1
• InChIKey: IATGQFGXEYPVPR-OAQYLSRUSA-N
• XLogP: 5.07
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.39
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide (CID 42272204) is 5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide is COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)N1CCCCC1.

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

The InChIKey is IATGQFGXEYPVPR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26BrN3O3/c1-30-22-8-4-3-7-19(22)21(28-13-5-2-6-14-28)16-26-24(29)20-15-23(31-27-20)17-9-11-18(25)12-10-17/h3-4,7-12,15,21H,2,5-6,13-14,16H2,1H3,(H,26,29)/t21-/m1/s1.

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

5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42272204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).