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

C11H11FN2O — CID 3582743

IUPAC3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H11FN2O/c1-2-3-10-13-11(14-15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3
InChIKeyLYVHGAKCKRJSMG-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.83
Rot. Bonds3

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

3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole (PubChem CID 3582743) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole
PubChem CID3582743
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H11FN2O/c1-2-3-10-13-11(14-15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3
InChIKeyLYVHGAKCKRJSMG-UHFFFAOYSA-N
XLogP2.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole (CID 3582743) is 3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole is CCCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole?
The InChIKey is LYVHGAKCKRJSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-2-3-10-13-11(14-15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole has a molecular weight of 206.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 3582743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).