N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

C16H21N3O3 — CID 1435053

IUPACN-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(-c2ccc(C)cc2)noc1=O
InChIInChI=1S/C16H21N3O3/c1-5-16(3,4)17-13(20)10-19-14(18-22-15(19)21)12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,17,20)
InChIKeySTJRYIDKOIDJAG-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.12
Rot. Bonds5

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

N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (PubChem CID 1435053) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
PubChem CID1435053
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(-c2ccc(C)cc2)noc1=O
InChIInChI=1S/C16H21N3O3/c1-5-16(3,4)17-13(20)10-19-14(18-22-15(19)21)12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,17,20)
InChIKeySTJRYIDKOIDJAG-UHFFFAOYSA-N
XLogP2.12
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-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-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (CID 1435053) is N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is CCC(C)(C)NC(=O)Cn1c(-c2ccc(C)cc2)noc1=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The InChIKey is STJRYIDKOIDJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-16(3,4)17-13(20)10-19-14(18-22-15(19)21)12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,17,20).
What are the key properties of N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.12, 5 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-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is sourced from PubChem (CID 1435053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).