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

C11H19N3O3 — CID 146082763

IUPAC2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(C(C)(C)C)noc1=O
InChIInChI=1S/C11H19N3O3/c1-7(2)12-8(15)6-14-9(11(3,4)5)13-17-10(14)16/h7H,6H2,1-5H3,(H,12,15)
InChIKeyIKFBYRKXTBWYKF-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.66
Rot. Bonds3

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

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide (PubChem CID 146082763) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
PubChem CID146082763
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(C(C)(C)C)noc1=O
InChIInChI=1S/C11H19N3O3/c1-7(2)12-8(15)6-14-9(11(3,4)5)13-17-10(14)16/h7H,6H2,1-5H3,(H,12,15)
InChIKeyIKFBYRKXTBWYKF-UHFFFAOYSA-N
XLogP0.66
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 146082744
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243240
N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146075502
N-methyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146075514
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
CID 146082711
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide
CID 146082713
N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082714
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide
CID 146082727
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide
CID 146082741
N-cyclopentyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 146082804
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082823
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide
CID 154810400

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide (CID 146082763) is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide is CC(C)NC(=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-propan-2-ylacetamide?
The InChIKey is IKFBYRKXTBWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)12-8(15)6-14-9(11(3,4)5)13-17-10(14)16/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide?
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide has a molecular weight of 241.29 g/mol, XLogP of 0.66, 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-propan-2-ylacetamide is sourced from PubChem (CID 146082763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).