2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide

C₁₀H₁₆N₂O₂ — CID 43906526

About 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide

2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 43906526) has the molecular formula C₁₀H₁₆N₂O₂ and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide
• PubChem CID: 43906526
• Molecular Formula: C₁₀H₁₆N₂O₂
• Molecular Weight: 196.25 g/mol
• Exact Mass: 196.12
• IUPAC Name: 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide
• SMILES: CCCC(C)NC(=O)c1coc(C)n1
• InChI: InChI=1S/C10H16N2O2/c1-4-5-7(2)11-10(13)9-6-14-8(3)12-9/h6-7H,4-5H2,1-3H3,(H,11,13)
• InChIKey: TXEIMMQKROBUQL-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.25
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide (CID 43906526) is 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide is CCCC(C)NC(=O)c1coc(C)n1.

What is the InChIKey of 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide?

The InChIKey is TXEIMMQKROBUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-7(2)11-10(13)9-6-14-8(3)12-9/h6-7H,4-5H2,1-3H3,(H,11,13).

What are the key properties of 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide?

2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 43906526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43906526 — identifiers, structure, computed properties (public domain)

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