3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

C13H11FN4O2 — CID 91917203

IUPAC3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1noc(-c2nc(-c3ccccc3F)no2)n1
InChIInChI=1S/C13H11FN4O2/c1-2-5-10-15-12(19-17-10)13-16-11(18-20-13)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3
InChIKeyFRVUYWOBLMWZGI-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.88
Rot. Bonds4

About 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 91917203) has the molecular formula C13H11FN4O2 and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID91917203
Molecular FormulaC13H11FN4O2
Molecular Weight274.25 g/mol
Exact Mass274.09
IUPAC Name3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1noc(-c2nc(-c3ccccc3F)no2)n1
InChIInChI=1S/C13H11FN4O2/c1-2-5-10-15-12(19-17-10)13-16-11(18-20-13)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3
InChIKeyFRVUYWOBLMWZGI-UHFFFAOYSA-N
XLogP2.88
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-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 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (CID 91917203) is 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is CCCc1noc(-c2nc(-c3ccccc3F)no2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is FRVUYWOBLMWZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c1-2-5-10-15-12(19-17-10)13-16-11(18-20-13)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 274.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91917203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).