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

C6H9NO3S — CID 117187897

IUPAC5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole
SMILESCc1cnc(CS(C)(=O)=O)o1
InChIInChI=1S/C6H9NO3S/c1-5-3-7-6(10-5)4-11(2,8)9/h3H,4H2,1-2H3
InChIKeyXFNKOCPWPWOLNT-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.53
Rot. Bonds2

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

5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole (PubChem CID 117187897) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole
PubChem CID117187897
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole
SMILESCc1cnc(CS(C)(=O)=O)o1
InChIInChI=1S/C6H9NO3S/c1-5-3-7-6(10-5)4-11(2,8)9/h3H,4H2,1-2H3
InChIKeyXFNKOCPWPWOLNT-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole (CID 117187897) is 5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole is Cc1cnc(CS(C)(=O)=O)o1.
What is the InChIKey of 5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole?
The InChIKey is XFNKOCPWPWOLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-5-3-7-6(10-5)4-11(2,8)9/h3H,4H2,1-2H3.
What are the key properties of 5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole?
5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole has a molecular weight of 175.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole is sourced from PubChem (CID 117187897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).