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

C9H9N3O2S — CID 63845583

IUPAC5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCSCc1noc(-c2cncc(O)c2)n1
InChIInChI=1S/C9H9N3O2S/c1-15-5-8-11-9(14-12-8)6-2-7(13)4-10-3-6/h2-4,13H,5H2,1H3
InChIKeyBIVLEWPMNFASPO-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.70
Rot. Bonds3

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

5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 63845583) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID63845583
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCSCc1noc(-c2cncc(O)c2)n1
InChIInChI=1S/C9H9N3O2S/c1-15-5-8-11-9(14-12-8)6-2-7(13)4-10-3-6/h2-4,13H,5H2,1H3
InChIKeyBIVLEWPMNFASPO-UHFFFAOYSA-N
XLogP1.70
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 63845583) is 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is CSCc1noc(-c2cncc(O)c2)n1.
What is the InChIKey of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is BIVLEWPMNFASPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-15-5-8-11-9(14-12-8)6-2-7(13)4-10-3-6/h2-4,13H,5H2,1H3.
What are the key properties of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 223.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 63845583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).