ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate

C12H9Cl2NO3 — CID 2726479

IUPACethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C12H9Cl2NO3/c1-2-17-12(16)10-6-9(15-18-10)11-7(13)4-3-5-8(11)14/h3-6H,2H2,1H3
InChIKeyNRKHLBRFBABJJT-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.83
Rot. Bonds3

About ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate

ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate (PubChem CID 2726479) has the molecular formula C12H9Cl2NO3 and a molecular weight of 286.11 g/mol. Its IUPAC name is ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate
PubChem CID2726479
Molecular FormulaC12H9Cl2NO3
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Nameethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C12H9Cl2NO3/c1-2-17-12(16)10-6-9(15-18-10)11-7(13)4-3-5-8(11)14/h3-6H,2H2,1H3
InChIKeyNRKHLBRFBABJJT-UHFFFAOYSA-N
XLogP3.83
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate 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 ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate (CID 2726479) is ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate is CCOC(=O)c1cc(-c2c(Cl)cccc2Cl)no1.
What is the InChIKey of ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate?
The InChIKey is NRKHLBRFBABJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3/c1-2-17-12(16)10-6-9(15-18-10)11-7(13)4-3-5-8(11)14/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate?
ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate has a molecular weight of 286.11 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 2726479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).