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

C11H8Cl2N2O3 — CID 63379232

IUPACethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl2N2O3/c1-2-17-11(16)9-14-10(18-15-9)6-4-3-5-7(12)8(6)13/h3-5H,2H2,1H3
InChIKeyQHVWALCCCIQCED-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.22
Rot. Bonds3

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

ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 63379232) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID63379232
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Nameethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl2N2O3/c1-2-17-11(16)9-14-10(18-15-9)6-4-3-5-7(12)8(6)13/h3-5H,2H2,1H3
InChIKeyQHVWALCCCIQCED-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate (CID 63379232) is ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is QHVWALCCCIQCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c1-2-17-11(16)9-14-10(18-15-9)6-4-3-5-7(12)8(6)13/h3-5H,2H2,1H3.
What are the key properties of ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-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 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 63379232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).