5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide

C24H26ClN3O2 — CID 39865815

About 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 39865815) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 39865815
• Molecular Formula: C24H26ClN3O2
• Molecular Weight: 423.94 g/mol
• Exact Mass: 423.17
• IUPAC Name: 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• SMILES: CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCC2)cc1
• InChI: InChI=1S/C24H26ClN3O2/c1-2-17-5-7-18(8-6-17)22(28-13-3-4-14-28)16-26-24(29)21-15-23(30-27-21)19-9-11-20(25)12-10-19/h5-12,15,22H,2-4,13-14,16H2,1H3,(H,26,29)/t22-/m0/s1
• InChIKey: COPKJUHMOZUUAO-QFIPXVFZSA-N
• XLogP: 5.12
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.94
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide (CID 39865815) is 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide is CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCC2)cc1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is COPKJUHMOZUUAO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-2-17-5-7-18(8-6-17)22(28-13-3-4-14-28)16-26-24(29)21-15-23(30-27-21)19-9-11-20(25)12-10-19/h5-12,15,22H,2-4,13-14,16H2,1H3,(H,26,29)/t22-/m0/s1.

What are the key properties of 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39865815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).