dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate

C13H9Cl2NO5 — CID 2726491

IUPACdimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC
InChIInChI=1S/C13H9Cl2NO5/c1-19-12(17)9-10(16-21-11(9)13(18)20-2)8-6(14)4-3-5-7(8)15/h3-5H,1-2H3
InChIKeyWSJYKDAFFWGRCD-UHFFFAOYSA-N
MW330.12 g/mol
LogP3.22
Rot. Bonds3

About dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate

dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate (PubChem CID 2726491) has the molecular formula C13H9Cl2NO5 and a molecular weight of 330.12 g/mol. Its IUPAC name is dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate
PubChem CID2726491
Molecular FormulaC13H9Cl2NO5
Molecular Weight330.12 g/mol
Exact Mass328.99
IUPAC Namedimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC
InChIInChI=1S/C13H9Cl2NO5/c1-19-12(17)9-10(16-21-11(9)13(18)20-2)8-6(14)4-3-5-7(8)15/h3-5H,1-2H3
InChIKeyWSJYKDAFFWGRCD-UHFFFAOYSA-N
XLogP3.22
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.12
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate 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

methyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 22176607
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
methyl 3-(2,6-dichlorophenyl)-5-[(3-methoxycarbonylbenzoyl)amino]-1,2-oxazole-4-carboxylate
CID 108746352
methyl 3-(2,6-dichlorophenyl)-5-(ethylcarbamothioylamino)-1,2-oxazole-4-carboxylate
CID 108783853
methyl 3-(2-chloro-6-fluorophenyl)-5-[1-(dimethylamino)-4,4,4-trifluoro-3-oxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate
CID 3730890
methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 108783849
methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate
CID 108768562
methyl 5-(cyclohexylcarbamothioylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 108783852
methyl 3-(2,6-dichlorophenyl)-5-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,2-oxazole-4-carboxylate
CID 108768569
methyl 3-(2,6-dichlorophenyl)-5-[4-(2,6-dimethylphenoxy)butanoylamino]-1,2-oxazole-4-carboxylate
CID 108768600
methyl 5-[2-(4-chloroanilino)ethenyl]-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 3803398
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate (CID 2726491) is dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate is COC(=O)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC.
What is the InChIKey of dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is WSJYKDAFFWGRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO5/c1-19-12(17)9-10(16-21-11(9)13(18)20-2)8-6(14)4-3-5-7(8)15/h3-5H,1-2H3.
What are the key properties of dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate?
dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 330.12 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 2726491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).