5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole

C14H16FN3O — CID 55145186

IUPAC5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(Cc2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C14H16FN3O/c15-12-5-3-10(4-6-12)8-13-17-14(18-19-13)11-2-1-7-16-9-11/h3-6,11,16H,1-2,7-9H2
InChIKeyJSXDOZWBAKXHAS-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.27
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole

5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 55145186) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID55145186
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(Cc2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C14H16FN3O/c15-12-5-3-10(4-6-12)8-13-17-14(18-19-13)11-2-1-7-16-9-11/h3-6,11,16H,1-2,7-9H2
InChIKeyJSXDOZWBAKXHAS-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole (CID 55145186) is 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole is Fc1ccc(Cc2nc(C3CCCNC3)no2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is JSXDOZWBAKXHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-5-3-10(4-6-12)8-13-17-14(18-19-13)11-2-1-7-16-9-11/h3-6,11,16H,1-2,7-9H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 261.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55145186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).