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

C12H12ClN3O3 — CID 146082772

IUPACN-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(C)noc2=O)c(Cl)c1
InChIInChI=1S/C12H12ClN3O3/c1-7-3-4-10(9(13)5-7)14-11(17)6-16-8(2)15-19-12(16)18/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyYMPGPJUIJICGQL-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.75
Rot. Bonds3

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

N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 146082772) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID146082772
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(C)noc2=O)c(Cl)c1
InChIInChI=1S/C12H12ClN3O3/c1-7-3-4-10(9(13)5-7)14-11(17)6-16-8(2)15-19-12(16)18/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyYMPGPJUIJICGQL-UHFFFAOYSA-N
XLogP1.75
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-4-methylphenyl)-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

Related Compounds

N-(2-chloro-4-methylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522523
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66215979
N-(2-chloro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]acetamide
CID 91810080
N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696
N-(2-bromo-4-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771985
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 7926616
N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide
CID 71986633
N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46261845
N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (CID 146082772) is N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is Cc1ccc(NC(=O)Cn2c(C)noc2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is YMPGPJUIJICGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c1-7-3-4-10(9(13)5-7)14-11(17)6-16-8(2)15-19-12(16)18/h3-5H,6H2,1-2H3,(H,14,17).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 281.70 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 146082772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).