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

C22H36N4O2+2 — CID 8994308

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

N-(1-adamantylmethyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8994308) has the molecular formula C22H36N4O2+2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(1-adamantylmethyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
• PubChem CID: 8994308
• Molecular Formula: C22H36N4O2+2
• Molecular Weight: 388.56 g/mol
• Exact Mass: 388.28
• IUPAC Name: N-(1-adamantylmethyl)-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)NCC34CC5CC(CC(C5)C3)C4)CC2)no1
• InChI: InChI=1S/C22H34N4O2/c1-16-6-20(24-28-16)13-25-2-4-26(5-3-25)14-21(27)23-15-22-10-17-7-18(11-22)9-19(8-17)12-22/h6,17-19H,2-5,7-15H2,1H3,(H,23,27)/p+2
• InChIKey: AWTRGECPVLWUNP-UHFFFAOYSA-P
• XLogP: -0.40
• TPSA: 64.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.56
LogP ≤ 5	-0.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(1-adamantylmethyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (CID 8994308) is N-(1-adamantylmethyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.

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

The canonical SMILES for N-(1-adamantylmethyl)-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)NCC34CC5CC(CC(C5)C3)C4)CC2)no1.

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

The InChIKey is AWTRGECPVLWUNP-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H34N4O2/c1-16-6-20(24-28-16)13-25-2-4-26(5-3-25)14-21(27)23-15-22-10-17-7-18(11-22)9-19(8-17)12-22/h6,17-19H,2-5,7-15H2,1H3,(H,23,27)/p+2.

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

N-(1-adamantylmethyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 388.56 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-adamantylmethyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8994308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).