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

C10H17N3O3 — CID 146082711

IUPAC2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C(C)(C)C)noc1=O
InChIInChI=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)
InChIKeyRRUSYNYYGLRNOY-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.27
Rot. Bonds3

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 Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
PubChem CID146082711
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C(C)(C)C)noc1=O
InChIInChI=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)
InChIKeyRRUSYNYYGLRNOY-UHFFFAOYSA-N
XLogP0.27
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.27
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
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 146082827
N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide
CID 146082891
N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 130685667
N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146075502
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
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082763
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082823
N,N-diethyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 146082825

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).