2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole

C7H11NO3S — CID 117187900

IUPAC2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole
SMILESCCS(=O)(=O)Cc1ncc(C)o1
InChIInChI=1S/C7H11NO3S/c1-3-12(9,10)5-7-8-4-6(2)11-7/h4H,3,5H2,1-2H3
InChIKeyDIADKHRSURBQCE-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.92
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole

2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole (PubChem CID 117187900) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole
PubChem CID117187900
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole
SMILESCCS(=O)(=O)Cc1ncc(C)o1
InChIInChI=1S/C7H11NO3S/c1-3-12(9,10)5-7-8-4-6(2)11-7/h4H,3,5H2,1-2H3
InChIKeyDIADKHRSURBQCE-UHFFFAOYSA-N
XLogP0.92
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole
CID 117187897
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248
N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 110660420
2-ethylsulfonyl-5-methyl-1,3-oxazole
CID 117190046
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 106377917
4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid
CID 106370360
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
CID 106373911
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369131

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole (CID 117187900) is 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole is CCS(=O)(=O)Cc1ncc(C)o1.
What is the InChIKey of 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole?
The InChIKey is DIADKHRSURBQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-3-12(9,10)5-7-8-4-6(2)11-7/h4H,3,5H2,1-2H3.
What are the key properties of 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole?
2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole has a molecular weight of 189.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 117187900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).