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

C14H16FN3O — CID 46342056

IUPAC3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole
SMILESCC1CCN(c2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C14H16FN3O/c1-10-6-8-18(9-7-10)14-16-13(17-19-14)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3
InChIKeyOOFFNVIYLVFJPS-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.11
Rot. Bonds2

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

3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole (PubChem CID 46342056) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole
PubChem CID46342056
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole
SMILESCC1CCN(c2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C14H16FN3O/c1-10-6-8-18(9-7-10)14-16-13(17-19-14)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3
InChIKeyOOFFNVIYLVFJPS-UHFFFAOYSA-N
XLogP3.11
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole (CID 46342056) is 3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole is CC1CCN(c2nc(-c3ccccc3F)no2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole?
The InChIKey is OOFFNVIYLVFJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-6-8-18(9-7-10)14-16-13(17-19-14)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole has a molecular weight of 261.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 46342056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).