3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol

C13H14FN3O2 — CID 106950086

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(-c3ccc(F)cc3)no2)CCCNC1
InChIInChI=1S/C13H14FN3O2/c14-10-4-2-9(3-5-10)11-16-12(19-17-11)13(18)6-1-7-15-8-13/h2-5,15,18H,1,6-8H2
InChIKeyOXONSPCOYKHJSY-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.45
Rot. Bonds2

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (PubChem CID 106950086) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
PubChem CID106950086
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(-c3ccc(F)cc3)no2)CCCNC1
InChIInChI=1S/C13H14FN3O2/c14-10-4-2-9(3-5-10)11-16-12(19-17-11)13(18)6-1-7-15-8-13/h2-5,15,18H,1,6-8H2
InChIKeyOXONSPCOYKHJSY-UHFFFAOYSA-N
XLogP1.45
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743319
3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950221
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950381
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107923475
3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950349
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 91650423
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (CID 106950086) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is OC1(c2nc(-c3ccc(F)cc3)no2)CCCNC1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The InChIKey is OXONSPCOYKHJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-10-4-2-9(3-5-10)11-16-12(19-17-11)13(18)6-1-7-15-8-13/h2-5,15,18H,1,6-8H2.
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol has a molecular weight of 263.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 106950086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).