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

C13H21N3O3 — CID 146082713

IUPAC2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1c(C(C)(C)C)noc1=O)C1CC1
InChIInChI=1S/C13H21N3O3/c1-5-15(9-6-7-9)10(17)8-16-11(13(2,3)4)14-19-12(16)18/h9H,5-8H2,1-4H3
InChIKeyKIRXHOBDBMDHBS-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.14
Rot. Bonds4

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

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 146082713) 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-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide
PubChem CID146082713
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1c(C(C)(C)C)noc1=O)C1CC1
InChIInChI=1S/C13H21N3O3/c1-5-15(9-6-7-9)10(17)8-16-11(13(2,3)4)14-19-12(16)18/h9H,5-8H2,1-4H3
InChIKeyKIRXHOBDBMDHBS-UHFFFAOYSA-N
XLogP1.14
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Tert-butyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
CID 146075504
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-methylacetamide
CID 146082741
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082763
N-cyclopropyl-N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082764
N-cyclopropyl-N-methyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 146082785
N,N-diethyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 146082825
4-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one
CID 146082887

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide (CID 146082713) is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)Cn1c(C(C)(C)C)noc1=O)C1CC1.
What is the InChIKey of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is KIRXHOBDBMDHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-15(9-6-7-9)10(17)8-16-11(13(2,3)4)14-19-12(16)18/h9H,5-8H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide?
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 267.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 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-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 146082713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).