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

C20H13FN2O2 — CID 25254647

IUPAC5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C20H13FN2O2/c21-16-10-6-15(7-11-16)20-22-19(23-25-20)14-8-12-18(13-9-14)24-17-4-2-1-3-5-17/h1-13H
InChIKeyOQNSISKGQIQWGD-UHFFFAOYSA-N
MW332.33 g/mol
LogP5.34
Rot. Bonds4

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

5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole (PubChem CID 25254647) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole
PubChem CID25254647
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC Name5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C20H13FN2O2/c21-16-10-6-15(7-11-16)20-22-19(23-25-20)14-8-12-18(13-9-14)24-17-4-2-1-3-5-17/h1-13H
InChIKeyOQNSISKGQIQWGD-UHFFFAOYSA-N
XLogP5.34
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.33
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole (CID 25254647) is 5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is OQNSISKGQIQWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-16-10-6-15(7-11-16)20-22-19(23-25-20)14-8-12-18(13-9-14)24-17-4-2-1-3-5-17/h1-13H.
What are the key properties of 5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 332.33 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 25254647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).