2-ethylsulfinyl-1,3-oxazole

C5H7NO2S — CID 21329745

IUPAC2-ethylsulfinyl-1,3-oxazole
SMILESCCS(=O)c1ncco1
InChIInChI=1S/C5H7NO2S/c1-2-9(7)5-6-3-4-8-5/h3-4H,2H2,1H3
InChIKeyWAXRUMDVEFKCBB-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.80
Rot. Bonds2

About 2-ethylsulfinyl-1,3-oxazole

2-ethylsulfinyl-1,3-oxazole (PubChem CID 21329745) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-ethylsulfinyl-1,3-oxazole.

Molecular Properties

Compound Name2-ethylsulfinyl-1,3-oxazole
PubChem CID21329745
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name2-ethylsulfinyl-1,3-oxazole
SMILESCCS(=O)c1ncco1
InChIInChI=1S/C5H7NO2S/c1-2-9(7)5-6-3-4-8-5/h3-4H,2H2,1H3
InChIKeyWAXRUMDVEFKCBB-UHFFFAOYSA-N
XLogP0.80
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-1,3-oxazole?
The IUPAC name of 2-ethylsulfinyl-1,3-oxazole (CID 21329745) is 2-ethylsulfinyl-1,3-oxazole.
What is the SMILES notation for 2-ethylsulfinyl-1,3-oxazole?
The canonical SMILES for 2-ethylsulfinyl-1,3-oxazole is CCS(=O)c1ncco1.
What is the InChIKey of 2-ethylsulfinyl-1,3-oxazole?
The InChIKey is WAXRUMDVEFKCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-2-9(7)5-6-3-4-8-5/h3-4H,2H2,1H3.
What are the key properties of 2-ethylsulfinyl-1,3-oxazole?
2-ethylsulfinyl-1,3-oxazole has a molecular weight of 145.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-1,3-oxazole is sourced from PubChem (CID 21329745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).