2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol

C9H13NO2S — CID 115082019

IUPAC2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
SMILESOCCc1coc(C2CCSC2)n1
InChIInChI=1S/C9H13NO2S/c11-3-1-8-5-12-9(10-8)7-2-4-13-6-7/h5,7,11H,1-4,6H2
InChIKeyMOZVFXLZUFNSGF-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.43
Rot. Bonds3

About 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol

2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol (PubChem CID 115082019) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
PubChem CID115082019
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
SMILESOCCc1coc(C2CCSC2)n1
InChIInChI=1S/C9H13NO2S/c11-3-1-8-5-12-9(10-8)7-2-4-13-6-7/h5,7,11H,1-4,6H2
InChIKeyMOZVFXLZUFNSGF-UHFFFAOYSA-N
XLogP1.43
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol (CID 115082019) is 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol is OCCc1coc(C2CCSC2)n1.
What is the InChIKey of 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is MOZVFXLZUFNSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-3-1-8-5-12-9(10-8)7-2-4-13-6-7/h5,7,11H,1-4,6H2.
What are the key properties of 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol?
2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 199.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115082019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).