2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide

C₁₀H₁₇N₃O₃ — CID 146082711

About 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide (PubChem CID 146082711) has the molecular formula C₁₀H₁₇N₃O₃ and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide.

Molecular Properties

• Compound Name: 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
• PubChem CID: 146082711
• Molecular Formula: C₁₀H₁₇N₃O₃
• Molecular Weight: 227.26 g/mol
• Exact Mass: 227.13
• IUPAC Name: 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
• SMILES: CCNC(=O)Cn1c(C(C)(C)C)noc1=O
• InChI: InChI=1S/C10H17N3O3/c1-5-11-7(14)6-13-8(10(2,3)4)12-16-9(13)15/h5-6H2,1-4H3,(H,11,14)
• InChIKey: RRUSYNYYGLRNOY-UHFFFAOYSA-N
• XLogP: 0.27
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	227.26
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide?

The IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide (CID 146082711) is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide.

What is the SMILES notation for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide?

The canonical SMILES for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide is CCNC(=O)Cn1c(C(C)(C)C)noc1=O.

What is the InChIKey of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide?

The InChIKey is RRUSYNYYGLRNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-5-11-7(14)6-13-8(10(2,3)4)12-16-9(13)15/h5-6H2,1-4H3,(H,11,14).

What are the key properties of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide?

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide has a molecular weight of 227.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide is sourced from PubChem (CID 146082711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146082711 — identifiers, structure, computed properties (public domain)

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