5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide

C32H39N5O4 — CID 144513818

About 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide

5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 144513818) has the molecular formula C32H39N5O4 and a molecular weight of 557.70 g/mol. Its IUPAC name is 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 144513818
• Molecular Formula: C32H39N5O4
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.30
• IUPAC Name: 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
• SMILES: CCc1ocnc1C(=O)Nc1cc(C(=O)NCCCN2CCCC2=O)ccc1C1CCN(c2ccccc2C)CC1
• InChI: InChI=1S/C32H39N5O4/c1-3-28-30(34-21-41-28)32(40)35-26-20-24(31(39)33-15-7-17-37-16-6-10-29(37)38)11-12-25(26)23-13-18-36(19-14-23)27-9-5-4-8-22(27)2/h4-5,8-9,11-12,20-21,23H,3,6-7,10,13-19H2,1-2H3,(H,33,39)(H,35,40)
• InChIKey: ALPFNRRPEVHGKW-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 107.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide (CID 144513818) is 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)Nc1cc(C(=O)NCCCN2CCCC2=O)ccc1C1CCN(c2ccccc2C)CC1.

What is the InChIKey of 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?

The InChIKey is ALPFNRRPEVHGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O4/c1-3-28-30(34-21-41-28)32(40)35-26-20-24(31(39)33-15-7-17-37-16-6-10-29(37)38)11-12-25(26)23-13-18-36(19-14-23)27-9-5-4-8-22(27)2/h4-5,8-9,11-12,20-21,23H,3,6-7,10,13-19H2,1-2H3,(H,33,39)(H,35,40).

What are the key properties of 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?

5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 557.70 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 144513818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).