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

C13H21N3O3 — CID 146082727

IUPAC2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide
SMILESCC(C)(C)c1noc(=O)n1CC(=O)NC1CCCC1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)11-15-19-12(18)16(11)8-10(17)14-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyPZTDXYVGBCKORU-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.19
Rot. Bonds3

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

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide (PubChem CID 146082727) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide
PubChem CID146082727
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide
SMILESCC(C)(C)c1noc(=O)n1CC(=O)NC1CCCC1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)11-15-19-12(18)16(11)8-10(17)14-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyPZTDXYVGBCKORU-UHFFFAOYSA-N
XLogP1.19
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146075518
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-propan-2-ylacetamide
CID 146082763
N-cyclopentyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082768
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-cyclopentylacetamide?
The IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide (CID 146082727) is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide is CC(C)(C)c1noc(=O)n1CC(=O)NC1CCCC1.
What is the InChIKey of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide?
The InChIKey is PZTDXYVGBCKORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)11-15-19-12(18)16(11)8-10(17)14-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide?
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide has a molecular weight of 267.33 g/mol, XLogP of 1.19, 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-cyclopentylacetamide is sourced from PubChem (CID 146082727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).