4-(ethylsulfonylmethyl)-1,3-oxazole

C6H9NO3S — CID 59154872

IUPAC4-(ethylsulfonylmethyl)-1,3-oxazole
SMILESCCS(=O)(=O)Cc1cocn1
InChIInChI=1S/C6H9NO3S/c1-2-11(8,9)4-6-3-10-5-7-6/h3,5H,2,4H2,1H3
InChIKeyUKLDCFWGEAOHPJ-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.61
Rot. Bonds3

About 4-(ethylsulfonylmethyl)-1,3-oxazole

4-(ethylsulfonylmethyl)-1,3-oxazole (PubChem CID 59154872) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 4-(ethylsulfonylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(ethylsulfonylmethyl)-1,3-oxazole
PubChem CID59154872
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name4-(ethylsulfonylmethyl)-1,3-oxazole
SMILESCCS(=O)(=O)Cc1cocn1
InChIInChI=1S/C6H9NO3S/c1-2-11(8,9)4-6-3-10-5-7-6/h3,5H,2,4H2,1H3
InChIKeyUKLDCFWGEAOHPJ-UHFFFAOYSA-N
XLogP0.61
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(ethylsulfonylmethyl)-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 4-(ethylsulfonylmethyl)-1,3-oxazole?
The IUPAC name of 4-(ethylsulfonylmethyl)-1,3-oxazole (CID 59154872) is 4-(ethylsulfonylmethyl)-1,3-oxazole.
What is the SMILES notation for 4-(ethylsulfonylmethyl)-1,3-oxazole?
The canonical SMILES for 4-(ethylsulfonylmethyl)-1,3-oxazole is CCS(=O)(=O)Cc1cocn1.
What is the InChIKey of 4-(ethylsulfonylmethyl)-1,3-oxazole?
The InChIKey is UKLDCFWGEAOHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-2-11(8,9)4-6-3-10-5-7-6/h3,5H,2,4H2,1H3.
What are the key properties of 4-(ethylsulfonylmethyl)-1,3-oxazole?
4-(ethylsulfonylmethyl)-1,3-oxazole has a molecular weight of 175.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylmethyl)-1,3-oxazole is sourced from PubChem (CID 59154872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).