3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide

C20H13Cl2N3O4 — CID 55572883

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H13Cl2N3O4/c1-9-15(17(24-29-9)16-13(21)4-3-5-14(16)22)18(26)23-10-6-7-11-12(8-10)20(28)25(2)19(11)27/h3-8H,1-2H3,(H,23,26)
InChIKeyWIWFZGYZELPWCF-UHFFFAOYSA-N
MW430.25 g/mol
LogP4.43
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide (PubChem CID 55572883) has the molecular formula C20H13Cl2N3O4 and a molecular weight of 430.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide
PubChem CID55572883
Molecular FormulaC20H13Cl2N3O4
Molecular Weight430.25 g/mol
Exact Mass429.03
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H13Cl2N3O4/c1-9-15(17(24-29-9)16-13(21)4-3-5-14(16)22)18(26)23-10-6-7-11-12(8-10)20(28)25(2)19(11)27/h3-8H,1-2H3,(H,23,26)
InChIKeyWIWFZGYZELPWCF-UHFFFAOYSA-N
XLogP4.43
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide 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

3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118276
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 177376733
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55572102
3-(2,6-dichlorophenyl)-5-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 31825313
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-1,2-oxazole-4-carboxamide
CID 18571314
3-(2,6-dichlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide
CID 39644444
3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide
CID 4200614
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
3-(2-chlorophenyl)-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-4-carboxamide
CID 17488472
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7922491

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide (CID 55572883) is 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is WIWFZGYZELPWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O4/c1-9-15(17(24-29-9)16-13(21)4-3-5-14(16)22)18(26)23-10-6-7-11-12(8-10)20(28)25(2)19(11)27/h3-8H,1-2H3,(H,23,26).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 430.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55572883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).