4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol

C13H15N3O2S — CID 83201224

IUPAC4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESCCc1cccnc1-c1noc(C2CSCC2O)n1
InChIInChI=1S/C13H15N3O2S/c1-2-8-4-3-5-14-11(8)12-15-13(18-16-12)9-6-19-7-10(9)17/h3-5,9-10,17H,2,6-7H2,1H3
InChIKeyXMOBFXSTCVWXPG-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.89
Rot. Bonds3

About 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol

4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (PubChem CID 83201224) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.

Molecular Properties

Compound Name4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
PubChem CID83201224
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESCCc1cccnc1-c1noc(C2CSCC2O)n1
InChIInChI=1S/C13H15N3O2S/c1-2-8-4-3-5-14-11(8)12-15-13(18-16-12)9-6-19-7-10(9)17/h3-5,9-10,17H,2,6-7H2,1H3
InChIKeyXMOBFXSTCVWXPG-UHFFFAOYSA-N
XLogP1.89
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83193430
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83201211
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 82732105
(3R,5R)-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912505
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201298
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200979
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201543
3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424986
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 82740955
4-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 106850005
N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 82737536

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The IUPAC name of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (CID 83201224) is 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.
What is the SMILES notation for 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The canonical SMILES for 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is CCc1cccnc1-c1noc(C2CSCC2O)n1.
What is the InChIKey of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The InChIKey is XMOBFXSTCVWXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-8-4-3-5-14-11(8)12-15-13(18-16-12)9-6-19-7-10(9)17/h3-5,9-10,17H,2,6-7H2,1H3.
What are the key properties of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol has a molecular weight of 277.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is sourced from PubChem (CID 83201224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).