5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

C16H13FN2O2 — CID 817385

IUPAC5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C16H13FN2O2/c1-2-20-14-9-5-12(6-10-14)16-18-15(19-21-16)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3
InChIKeyMWUFKXMBFZEJPC-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.94
Rot. Bonds4

About 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 817385) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID817385
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C16H13FN2O2/c1-2-20-14-9-5-12(6-10-14)16-18-15(19-21-16)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3
InChIKeyMWUFKXMBFZEJPC-UHFFFAOYSA-N
XLogP3.94
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole 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 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 817385) is 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is MWUFKXMBFZEJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-20-14-9-5-12(6-10-14)16-18-15(19-21-16)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3.
What are the key properties of 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 284.29 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 817385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).