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

C17H15FN2O — CID 739397

IUPAC3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(-c3ccc(F)cc3)cc2)no1
InChIInChI=1S/C17H15FN2O/c1-2-3-16-19-17(20-21-16)14-6-4-12(5-7-14)13-8-10-15(18)11-9-13/h4-11H,2-3H2,1H3
InChIKeyUZJLGSCFBMOGAY-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.50
Rot. Bonds4

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

3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 739397) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole
PubChem CID739397
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(-c3ccc(F)cc3)cc2)no1
InChIInChI=1S/C17H15FN2O/c1-2-3-16-19-17(20-21-16)14-6-4-12(5-7-14)13-8-10-15(18)11-9-13/h4-11H,2-3H2,1H3
InChIKeyUZJLGSCFBMOGAY-UHFFFAOYSA-N
XLogP4.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole (CID 739397) is 3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(-c2ccc(-c3ccc(F)cc3)cc2)no1.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is UZJLGSCFBMOGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-3-16-19-17(20-21-16)14-6-4-12(5-7-14)13-8-10-15(18)11-9-13/h4-11H,2-3H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole?
3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 282.32 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 739397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).