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

C13H13F2N3O2 — CID 106950142

IUPAC3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(-c3cc(F)cc(F)c3)no2)CCCNC1
InChIInChI=1S/C13H13F2N3O2/c14-9-4-8(5-10(15)6-9)11-17-12(20-18-11)13(19)2-1-3-16-7-13/h4-6,16,19H,1-3,7H2
InChIKeyDPSKEHOWURVFQH-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.59
Rot. Bonds2

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

3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (PubChem CID 106950142) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
PubChem CID106950142
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(-c3cc(F)cc(F)c3)no2)CCCNC1
InChIInChI=1S/C13H13F2N3O2/c14-9-4-8(5-10(15)6-9)11-17-12(20-18-11)13(19)2-1-3-16-7-13/h4-6,16,19H,1-3,7H2
InChIKeyDPSKEHOWURVFQH-UHFFFAOYSA-N
XLogP1.59
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The IUPAC name of 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (CID 106950142) is 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The canonical SMILES for 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is OC1(c2nc(-c3cc(F)cc(F)c3)no2)CCCNC1.
What is the InChIKey of 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The InChIKey is DPSKEHOWURVFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c14-9-4-8(5-10(15)6-9)11-17-12(20-18-11)13(19)2-1-3-16-7-13/h4-6,16,19H,1-3,7H2.
What are the key properties of 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol has a molecular weight of 281.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 106950142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).