2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide

C19H17N5O4S — CID 126470275

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 126470275) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
• PubChem CID: 126470275
• Molecular Formula: C19H17N5O4S
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.10
• IUPAC Name: 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
• SMILES: Cc1nn(CC(=O)NCCn2nc(-c3cccs3)oc2=O)c(=O)c2ccccc12
• InChI: InChI=1S/C19H17N5O4S/c1-12-13-5-2-3-6-14(13)18(26)24(21-12)11-16(25)20-8-9-23-19(27)28-17(22-23)15-7-4-10-29-15/h2-7,10H,8-9,11H2,1H3,(H,20,25)
• InChIKey: LQOUTAALTDMOJI-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 112.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.44
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide?

The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide (CID 126470275) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide.

What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide?

The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide is Cc1nn(CC(=O)NCCn2nc(-c3cccs3)oc2=O)c(=O)c2ccccc12.

What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide?

The InChIKey is LQOUTAALTDMOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-12-13-5-2-3-6-14(13)18(26)24(21-12)11-16(25)20-8-9-23-19(27)28-17(22-23)15-7-4-10-29-15/h2-7,10H,8-9,11H2,1H3,(H,20,25).

What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide?

2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 411.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 126470275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).