2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide

C8H13N3O2 — CID 118570581

IUPAC2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCC(C)(C)c1nc(CC(N)=O)no1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)7-10-6(11-13-7)4-5(9)12/h4H2,1-3H3,(H2,9,12)
InChIKeyVSXFIJFGWAPUTF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds2

About 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide

2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 118570581) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID118570581
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCC(C)(C)c1nc(CC(N)=O)no1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)7-10-6(11-13-7)4-5(9)12/h4H2,1-3H3,(H2,9,12)
InChIKeyVSXFIJFGWAPUTF-UHFFFAOYSA-N
XLogP0.39
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide (CID 118570581) is 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide is CC(C)(C)c1nc(CC(N)=O)no1.
What is the InChIKey of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is VSXFIJFGWAPUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)7-10-6(11-13-7)4-5(9)12/h4H2,1-3H3,(H2,9,12).
What are the key properties of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide?
2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 183.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 118570581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).