N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide

C20H22N4O6 — CID 166004955

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 166004955) has the molecular formula C20H22N4O6 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
• PubChem CID: 166004955
• Molecular Formula: C20H22N4O6
• Molecular Weight: 414.42 g/mol
• Exact Mass: 414.15
• IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
• SMILES: CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3cc(C)on3)CC1)OCO2
• InChI: InChI=1S/C20H22N4O6/c1-12-7-16(22-30-12)20(27)24-5-3-23(4-6-24)10-19(26)21-15-9-18-17(28-11-29-18)8-14(15)13(2)25/h7-9H,3-6,10-11H2,1-2H3,(H,21,26)
• InChIKey: YWYJKIOBTHLWMI-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 114.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.42
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide?

The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide (CID 166004955) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide?

The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3cc(C)on3)CC1)OCO2.

What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide?

The InChIKey is YWYJKIOBTHLWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6/c1-12-7-16(22-30-12)20(27)24-5-3-23(4-6-24)10-19(26)21-15-9-18-17(28-11-29-18)8-14(15)13(2)25/h7-9H,3-6,10-11H2,1-2H3,(H,21,26).

What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide?

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 414.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 166004955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).