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

C9H15N3O3 — CID 154810400

IUPAC2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(C(C)(C)C)noc1=O
InChIInChI=1S/C9H15N3O3/c1-9(2,3)7-11-15-8(14)12(7)5-6(13)10-4/h5H2,1-4H3,(H,10,13)
InChIKeySCJVSCQBUIXCCM-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.12
Rot. Bonds2

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

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide (PubChem CID 154810400) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide
PubChem CID154810400
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(C(C)(C)C)noc1=O
InChIInChI=1S/C9H15N3O3/c1-9(2,3)7-11-15-8(14)12(7)5-6(13)10-4/h5H2,1-4H3,(H,10,13)
InChIKeySCJVSCQBUIXCCM-UHFFFAOYSA-N
XLogP-0.12
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.12
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-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide
CID 137106092
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-ethylacetamide
CID 146082711
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-propan-2-ylacetamide
CID 146082763
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082823

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide?
The IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide (CID 154810400) is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide is CNC(=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-methylacetamide?
The InChIKey is SCJVSCQBUIXCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-9(2,3)7-11-15-8(14)12(7)5-6(13)10-4/h5H2,1-4H3,(H,10,13).
What are the key properties of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide?
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide has a molecular weight of 213.24 g/mol, XLogP of -0.12, 2 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-methylacetamide is sourced from PubChem (CID 154810400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).