ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate

C11H8Cl2N2O3 — CID 57360994

IUPACethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C11H8Cl2N2O3/c1-2-17-11(16)10-14-9(15-18-10)6-3-4-7(12)8(13)5-6/h3-5H,2H2,1H3
InChIKeyYSZRWQDAUWLLJD-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.22
Rot. Bonds3

About ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate

ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 57360994) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID57360994
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Nameethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C11H8Cl2N2O3/c1-2-17-11(16)10-14-9(15-18-10)6-3-4-7(12)8(13)5-6/h3-5H,2H2,1H3
InChIKeyYSZRWQDAUWLLJD-UHFFFAOYSA-N
XLogP3.22
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-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

Related Compounds

ethyl 3-(3,5-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 107917947
ethyl 3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 63357988
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
ethyl 3,5-bis(3,4-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 131868454
ethyl 3-[3-chloro-5-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-oxadiazole-5-carboxylate
CID 144592491
ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
CID 91872842
ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 104798232
ethyl 3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 81273600
ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 67454300
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
ethyl 3-pyrimidin-4-yl-1,2,4-oxadiazole-5-carboxylate
CID 53206373

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate (CID 57360994) is ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is YSZRWQDAUWLLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c1-2-17-11(16)10-14-9(15-18-10)6-3-4-7(12)8(13)5-6/h3-5H,2H2,1H3.
What are the key properties of ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 287.10 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 57360994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).