N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide

C10H17N3O3 — CID 146075502

IUPACN-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C)noc1=O
InChIInChI=1S/C10H17N3O3/c1-5-10(3,4)11-8(14)6-13-7(2)12-16-9(13)15/h5-6H2,1-4H3,(H,11,14)
InChIKeyDKKIRIWJUNIRNV-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.45
Rot. Bonds4

About N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide

N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 146075502) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID146075502
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C)noc1=O
InChIInChI=1S/C10H17N3O3/c1-5-10(3,4)11-8(14)6-13-7(2)12-16-9(13)15/h5-6H2,1-4H3,(H,11,14)
InChIKeyDKKIRIWJUNIRNV-UHFFFAOYSA-N
XLogP0.45
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (CID 146075502) is N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is CCC(C)(C)NC(=O)Cn1c(C)noc1=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is DKKIRIWJUNIRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-5-10(3,4)11-8(14)6-13-7(2)12-16-9(13)15/h5-6H2,1-4H3,(H,11,14).
What are the key properties of N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 227.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 146075502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).