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

C14H16FN3O2 — CID 86767911

IUPAC5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCc2nc(C3CCNCC3)no2)cc1
InChIInChI=1S/C14H16FN3O2/c15-11-1-3-12(4-2-11)19-9-13-17-14(18-20-13)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2
InChIKeyGLXRABASKSAHMS-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.25
Rot. Bonds4

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

5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 86767911) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID86767911
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCc2nc(C3CCNCC3)no2)cc1
InChIInChI=1S/C14H16FN3O2/c15-11-1-3-12(4-2-11)19-9-13-17-14(18-20-13)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2
InChIKeyGLXRABASKSAHMS-UHFFFAOYSA-N
XLogP2.25
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole (CID 86767911) is 5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole is Fc1ccc(OCc2nc(C3CCNCC3)no2)cc1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is GLXRABASKSAHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-11-1-3-12(4-2-11)19-9-13-17-14(18-20-13)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 277.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86767911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).