N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide

C24H35N5O3 — CID 20918424

About N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide

N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 20918424) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 20918424
• Molecular Formula: C24H35N5O3
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.27
• IUPAC Name: N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CCCCC(=O)N1CCN(Cc2noc(CCC(=O)N(CC)Cc3ccccc3)n2)CC1
• InChI: InChI=1S/C24H35N5O3/c1-3-5-11-23(30)29-16-14-27(15-17-29)19-21-25-22(32-26-21)12-13-24(31)28(4-2)18-20-9-7-6-8-10-20/h6-10H,3-5,11-19H2,1-2H3
• InChIKey: FWJVFBHDHZBJLE-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 82.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 20918424) is N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide is CCCCC(=O)N1CCN(Cc2noc(CCC(=O)N(CC)Cc3ccccc3)n2)CC1.

What is the InChIKey of N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is FWJVFBHDHZBJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-3-5-11-23(30)29-16-14-27(15-17-29)19-21-25-22(32-26-21)12-13-24(31)28(4-2)18-20-9-7-6-8-10-20/h6-10H,3-5,11-19H2,1-2H3.

What are the key properties of N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide?

N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 441.58 g/mol, XLogP of 2.89, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 20918424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).