2-ethylsulfonyl-5-methyl-1,3-oxazole

C6H9NO3S — CID 117190046

IUPAC2-ethylsulfonyl-5-methyl-1,3-oxazole
SMILESCCS(=O)(=O)c1ncc(C)o1
InChIInChI=1S/C6H9NO3S/c1-3-11(8,9)6-7-4-5(2)10-6/h4H,3H2,1-2H3
InChIKeyVKLFFEBIAXWSMW-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.78
Rot. Bonds2

About 2-ethylsulfonyl-5-methyl-1,3-oxazole

2-ethylsulfonyl-5-methyl-1,3-oxazole (PubChem CID 117190046) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-ethylsulfonyl-5-methyl-1,3-oxazole
PubChem CID117190046
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name2-ethylsulfonyl-5-methyl-1,3-oxazole
SMILESCCS(=O)(=O)c1ncc(C)o1
InChIInChI=1S/C6H9NO3S/c1-3-11(8,9)6-7-4-5(2)10-6/h4H,3H2,1-2H3
InChIKeyVKLFFEBIAXWSMW-UHFFFAOYSA-N
XLogP0.78
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfonyl-5-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-methyl-1,3-oxazole?
The IUPAC name of 2-ethylsulfonyl-5-methyl-1,3-oxazole (CID 117190046) is 2-ethylsulfonyl-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-ethylsulfonyl-5-methyl-1,3-oxazole?
The canonical SMILES for 2-ethylsulfonyl-5-methyl-1,3-oxazole is CCS(=O)(=O)c1ncc(C)o1.
What is the InChIKey of 2-ethylsulfonyl-5-methyl-1,3-oxazole?
The InChIKey is VKLFFEBIAXWSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-3-11(8,9)6-7-4-5(2)10-6/h4H,3H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-5-methyl-1,3-oxazole?
2-ethylsulfonyl-5-methyl-1,3-oxazole has a molecular weight of 175.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-methyl-1,3-oxazole is sourced from PubChem (CID 117190046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).