5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

C11H11N3O2S2 — CID 79965429

IUPAC5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(C3CSCCS3)no2)c1
InChIInChI=1S/C11H11N3O2S2/c15-8-3-7(4-12-5-8)11-13-10(14-16-11)9-6-17-1-2-18-9/h3-5,9,15H,1-2,6H2
InChIKeyHXUUGVMRZZFBQB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.36
Rot. Bonds2

About 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 79965429) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID79965429
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Name5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(C3CSCCS3)no2)c1
InChIInChI=1S/C11H11N3O2S2/c15-8-3-7(4-12-5-8)11-13-10(14-16-11)9-6-17-1-2-18-9/h3-5,9,15H,1-2,6H2
InChIKeyHXUUGVMRZZFBQB-UHFFFAOYSA-N
XLogP2.36
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 79965429) is 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is Oc1cncc(-c2nc(C3CSCCS3)no2)c1.
What is the InChIKey of 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is HXUUGVMRZZFBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c15-8-3-7(4-12-5-8)11-13-10(14-16-11)9-6-17-1-2-18-9/h3-5,9,15H,1-2,6H2.
What are the key properties of 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 281.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 79965429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).