4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide

C24H34Cl2N4O2 — CID 66575750

About 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide

4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide (PubChem CID 66575750) has the molecular formula C24H34Cl2N4O2 and a molecular weight of 481.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide
• PubChem CID: 66575750
• Molecular Formula: C24H34Cl2N4O2
• Molecular Weight: 481.47 g/mol
• Exact Mass: 480.21
• IUPAC Name: 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide
• SMILES: CCCc1oc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc1C(C)(C)C
• InChI: InChI=1S/C24H34Cl2N4O2/c1-5-8-19-21(24(2,3)4)28-23(32-19)22(31)27-11-7-12-29-13-15-30(16-14-29)18-10-6-9-17(25)20(18)26/h6,9-10H,5,7-8,11-16H2,1-4H3,(H,27,31)
• InChIKey: UUUYODNHYOBHAB-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 61.61 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	481.47
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide?

The IUPAC name of 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide (CID 66575750) is 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide.

What is the SMILES notation for 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide?

The canonical SMILES for 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide is CCCc1oc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide?

The InChIKey is UUUYODNHYOBHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Cl2N4O2/c1-5-8-19-21(24(2,3)4)28-23(32-19)22(31)27-11-7-12-29-13-15-30(16-14-29)18-10-6-9-17(25)20(18)26/h6,9-10H,5,7-8,11-16H2,1-4H3,(H,27,31).

What are the key properties of 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide?

4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide has a molecular weight of 481.47 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 66575750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).