N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide

C23H25N5O3 — CID 53041910

About N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide

N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 53041910) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
• PubChem CID: 53041910
• Molecular Formula: C23H25N5O3
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.20
• IUPAC Name: N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
• SMILES: CCc1nc(-c2ccc(N3CCN(C(=O)c4cccc(NC(C)=O)c4)CC3)cc2)no1
• InChI: InChI=1S/C23H25N5O3/c1-3-21-25-22(26-31-21)17-7-9-20(10-8-17)27-11-13-28(14-12-27)23(30)18-5-4-6-19(15-18)24-16(2)29/h4-10,15H,3,11-14H2,1-2H3,(H,24,29)
• InChIKey: IDNCTYSGWCSMCK-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide?

The IUPAC name of N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide (CID 53041910) is N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide.

What is the SMILES notation for N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide?

The canonical SMILES for N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide is CCc1nc(-c2ccc(N3CCN(C(=O)c4cccc(NC(C)=O)c4)CC3)cc2)no1.

What is the InChIKey of N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide?

The InChIKey is IDNCTYSGWCSMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-3-21-25-22(26-31-21)17-7-9-20(10-8-17)27-11-13-28(14-12-27)23(30)18-5-4-6-19(15-18)24-16(2)29/h4-10,15H,3,11-14H2,1-2H3,(H,24,29).

What are the key properties of N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide?

N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 53041910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).