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

C11H16N2O3S — CID 83200552

IUPAC4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESOC1CSCC1c1nc(C2CCCOC2)no1
InChIInChI=1S/C11H16N2O3S/c14-9-6-17-5-8(9)11-12-10(13-16-11)7-2-1-3-15-4-7/h7-9,14H,1-6H2
InChIKeyNWVOWAFKUKNCOK-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.15
Rot. Bonds2

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

4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (PubChem CID 83200552) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.

Molecular Properties

Compound Name4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
PubChem CID83200552
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESOC1CSCC1c1nc(C2CCCOC2)no1
InChIInChI=1S/C11H16N2O3S/c14-9-6-17-5-8(9)11-12-10(13-16-11)7-2-1-3-15-4-7/h7-9,14H,1-6H2
InChIKeyNWVOWAFKUKNCOK-UHFFFAOYSA-N
XLogP1.15
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The IUPAC name of 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (CID 83200552) is 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.
What is the SMILES notation for 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The canonical SMILES for 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is OC1CSCC1c1nc(C2CCCOC2)no1.
What is the InChIKey of 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The InChIKey is NWVOWAFKUKNCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-9-6-17-5-8(9)11-12-10(13-16-11)7-2-1-3-15-4-7/h7-9,14H,1-6H2.
What are the key properties of 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol has a molecular weight of 256.33 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is sourced from PubChem (CID 83200552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).