N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide

C17H20N4O3 — CID 171153341

About N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide (PubChem CID 171153341) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide
• PubChem CID: 171153341
• Molecular Formula: C17H20N4O3
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.15
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide
• SMILES: Cc1cc(NC(=O)CN2CC3CC(C2)c2cccc(=O)n2C3)no1
• InChI: InChI=1S/C17H20N4O3/c1-11-5-15(19-24-11)18-16(22)10-20-7-12-6-13(9-20)14-3-2-4-17(23)21(14)8-12/h2-5,12-13H,6-10H2,1H3,(H,18,19,22)
• InChIKey: NJQNSDVLTJIAJA-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide (CID 171153341) is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide is Cc1cc(NC(=O)CN2CC3CC(C2)c2cccc(=O)n2C3)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide?

The InChIKey is NJQNSDVLTJIAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-5-15(19-24-11)18-16(22)10-20-7-12-6-13(9-20)14-3-2-4-17(23)21(14)8-12/h2-5,12-13H,6-10H2,1H3,(H,18,19,22).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide is sourced from PubChem (CID 171153341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).