2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide

C17H14ClN3O2 — CID 665849

IUPAC2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
SMILESCCNC(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3Cl
InChIInChI=1S/C17H14ClN3O2/c1-2-19-16(22)11-7-3-4-8-12(11)17-20-15(21-23-17)13-9-5-6-10-14(13)18/h3-10H,2H2,1H3,(H,19,22)
InChIKeyAIUZTSSCUWLBNO-UHFFFAOYSA-N
MW327.80 g/mol
LogP3.70
Rot. Bonds4

About 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide (PubChem CID 665849) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.80 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
PubChem CID665849
Molecular FormulaC17H14ClN3O2
Molecular Weight327.80 g/mol
Exact Mass327.08
IUPAC Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
SMILESCCNC(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3Cl
InChIInChI=1S/C17H14ClN3O2/c1-2-19-16(22)11-7-3-4-8-12(11)17-20-15(21-23-17)13-9-5-6-10-14(13)18/h3-10H,2H2,1H3,(H,19,22)
InChIKeyAIUZTSSCUWLBNO-UHFFFAOYSA-N
XLogP3.70
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity409

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide (CID 665849) is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide is CCNC(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide?
The InChIKey is AIUZTSSCUWLBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-2-19-16(22)11-7-3-4-8-12(11)17-20-15(21-23-17)13-9-5-6-10-14(13)18/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide?
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide has a molecular weight of 327.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide is sourced from PubChem (CID 665849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).