2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H18N4O3S — CID 7205956

About 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7205956) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 7205956
• Molecular Formula: C18H18N4O3S
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.11
• IUPAC Name: 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: CCOc1ccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)cc1
• InChI: InChI=1S/C18H18N4O3S/c1-3-24-14-6-4-13(5-7-14)15-8-9-18(21-20-15)26-11-17(23)19-16-10-12(2)25-22-16/h4-10H,3,11H2,1-2H3,(H,19,22,23)
• InChIKey: MCALZEAHEWWDLK-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7205956) is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOc1ccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)cc1.

What is the InChIKey of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is MCALZEAHEWWDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-24-14-6-4-13(5-7-14)15-8-9-18(21-20-15)26-11-17(23)19-16-10-12(2)25-22-16/h4-10H,3,11H2,1-2H3,(H,19,22,23).

What are the key properties of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 370.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7205956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).