[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol

C8H11N3O2 — CID 14898769

IUPAC[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C8H11N3O2/c12-5-7-10-8(13-11-7)6-2-1-3-9-4-6/h2,9,12H,1,3-5H2
InChIKeyZLYPVVKDYXWYRT-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.06
Rot. Bonds2

About [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol

[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 14898769) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID14898769
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C8H11N3O2/c12-5-7-10-8(13-11-7)6-2-1-3-9-4-6/h2,9,12H,1,3-5H2
InChIKeyZLYPVVKDYXWYRT-UHFFFAOYSA-N
XLogP-0.06
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol (CID 14898769) is [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(C2=CCCNC2)n1.
What is the InChIKey of [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is ZLYPVVKDYXWYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-5-7-10-8(13-11-7)6-2-1-3-9-4-6/h2,9,12H,1,3-5H2.
What are the key properties of [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 181.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 14898769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).