3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide

C24H27ClN4O2 — CID 43039929

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide (PubChem CID 43039929) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
• PubChem CID: 43039929
• Molecular Formula: C24H27ClN4O2
• Molecular Weight: 438.96 g/mol
• Exact Mass: 438.18
• IUPAC Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
• SMILES: CCN1CCN(c2ccccc2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1
• InChI: InChI=1S/C24H27ClN4O2/c1-2-28-13-15-29(16-14-28)21-6-4-3-5-20(21)27-23(30)11-12-24-26-17-22(31-24)18-7-9-19(25)10-8-18/h3-10,17H,2,11-16H2,1H3,(H,27,30)
• InChIKey: QUBSLUCQXQGOIJ-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.96
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide?

The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide (CID 43039929) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide.

What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide?

The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide is CCN1CCN(c2ccccc2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1.

What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide?

The InChIKey is QUBSLUCQXQGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-2-28-13-15-29(16-14-28)21-6-4-3-5-20(21)27-23(30)11-12-24-26-17-22(31-24)18-7-9-19(25)10-8-18/h3-10,17H,2,11-16H2,1H3,(H,27,30).

What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide?

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 438.96 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 43039929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).