N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide

C23H26N4O3+2 — CID 8994075

About N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide

N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8994075) has the molecular formula C23H26N4O3+2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

• Compound Name: N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
• PubChem CID: 8994075
• Molecular Formula: C23H26N4O3+2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
• SMILES: Cc1cc(C[NH+]2CC[NH+](CC(=O)Nc3ccc4oc5ccccc5c4c3)CC2)no1
• InChI: InChI=1S/C23H24N4O3/c1-16-12-18(25-30-16)14-26-8-10-27(11-9-26)15-23(28)24-17-6-7-22-20(13-17)19-4-2-3-5-21(19)29-22/h2-7,12-13H,8-11,14-15H2,1H3,(H,24,28)/p+2
• InChIKey: YKCWLZCTFWXALS-UHFFFAOYSA-P
• XLogP: 0.80
• TPSA: 77.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?

The IUPAC name of N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (CID 8994075) is N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.

What is the SMILES notation for N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?

The canonical SMILES for N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide is Cc1cc(C[NH+]2CC[NH+](CC(=O)Nc3ccc4oc5ccccc5c4c3)CC2)no1.

What is the InChIKey of N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?

The InChIKey is YKCWLZCTFWXALS-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H24N4O3/c1-16-12-18(25-30-16)14-26-8-10-27(11-9-26)15-23(28)24-17-6-7-22-20(13-17)19-4-2-3-5-21(19)29-22/h2-7,12-13H,8-11,14-15H2,1H3,(H,24,28)/p+2.

What are the key properties of N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?

N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8994075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).