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

C20H22N4O6 — CID 166004952

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 166004952) 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-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide
• PubChem CID: 166004952
• 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-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide
• SMILES: CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ncoc3C)CC1)OCO2
• InChI: InChI=1S/C20H22N4O6/c1-12(25)14-7-16-17(30-11-29-16)8-15(14)22-18(26)9-23-3-5-24(6-4-23)20(27)19-13(2)28-10-21-19/h7-8,10H,3-6,9,11H2,1-2H3,(H,22,26)
• InChIKey: RTJRBCKDOAOXPE-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-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide?

The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide (CID 166004952) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide.

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

The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ncoc3C)CC1)OCO2.

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

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

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,3-oxazole-4-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-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 166004952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).