N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C₇H₉N₃O₃ — CID 44996069

About N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 44996069) has the molecular formula C₇H₉N₃O₃ and a molecular weight of 183.17 g/mol. Its IUPAC name is N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

• Compound Name: N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
• PubChem CID: 44996069
• Molecular Formula: C₇H₉N₃O₃
• Molecular Weight: 183.17 g/mol
• Exact Mass: 183.06
• IUPAC Name: N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
• SMILES: CNC(=O)C(=O)Nc1cc(C)on1
• InChI: InChI=1S/C7H9N3O3/c1-4-3-5(10-13-4)9-7(12)6(11)8-2/h3H,1-2H3,(H,8,11)(H,9,10,12)
• InChIKey: OJWLMWXFKYKPPA-UHFFFAOYSA-N
• XLogP: -0.33
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.17
LogP ≤ 5	-0.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?

The IUPAC name of N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 44996069) is N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

What is the SMILES notation for N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?

The canonical SMILES for N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is CNC(=O)C(=O)Nc1cc(C)on1.

What is the InChIKey of N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?

The InChIKey is OJWLMWXFKYKPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4-3-5(10-13-4)9-7(12)6(11)8-2/h3H,1-2H3,(H,8,11)(H,9,10,12).

What are the key properties of N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?

N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 183.17 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 44996069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 44996069 — identifiers, structure, computed properties (public domain)

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