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

C18H25FN4O2+2 — CID 8994410

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

N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8994410) has the molecular formula C18H25FN4O2+2 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
• PubChem CID: 8994410
• Molecular Formula: C18H25FN4O2+2
• Molecular Weight: 348.42 g/mol
• Exact Mass: 348.20
• IUPAC Name: N-[(2-fluorophenyl)methyl]-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)NCc3ccccc3F)CC2)no1
• InChI: InChI=1S/C18H23FN4O2/c1-14-10-16(21-25-14)12-22-6-8-23(9-7-22)13-18(24)20-11-15-4-2-3-5-17(15)19/h2-5,10H,6-9,11-13H2,1H3,(H,20,24)/p+2
• InChIKey: SGPFZLOHBGJQSD-UHFFFAOYSA-P
• XLogP: -1.28
• TPSA: 64.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.42
LogP ≤ 5	-1.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (CID 8994410) is N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.

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

The canonical SMILES for N-[(2-fluorophenyl)methyl]-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)NCc3ccccc3F)CC2)no1.

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

The InChIKey is SGPFZLOHBGJQSD-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H23FN4O2/c1-14-10-16(21-25-14)12-22-6-8-23(9-7-22)13-18(24)20-11-15-4-2-3-5-17(15)19/h2-5,10H,6-9,11-13H2,1H3,(H,20,24)/p+2.

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

N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 348.42 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8994410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).