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

C14H8FN3O3 — CID 699591

IUPAC5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C14H8FN3O3/c15-11-6-4-9(5-7-11)14-16-13(17-21-14)10-2-1-3-12(8-10)18(19)20/h1-8H
InChIKeyPHSKMUVSVYQIRN-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.45
Rot. Bonds3

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

5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole (PubChem CID 699591) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
PubChem CID699591
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC Name5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C14H8FN3O3/c15-11-6-4-9(5-7-11)14-16-13(17-21-14)10-2-1-3-12(8-10)18(19)20/h1-8H
InChIKeyPHSKMUVSVYQIRN-UHFFFAOYSA-N
XLogP3.45
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-3-(3-nitrophenyl)-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-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole (CID 699591) is 5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole is O=[N+]([O-])c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The InChIKey is PHSKMUVSVYQIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-11-6-4-9(5-7-11)14-16-13(17-21-14)10-2-1-3-12(8-10)18(19)20/h1-8H.
What are the key properties of 5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole has a molecular weight of 285.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 699591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).