4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole

C8H13NO3S — CID 135295964

IUPAC4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(CS(C)(=O)=O)co1
InChIInChI=1S/C8H13NO3S/c1-6(2)8-9-7(4-12-8)5-13(3,10)11/h4,6H,5H2,1-3H3
InChIKeyPIAYWNFZUNZJKS-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.34
Rot. Bonds3

About 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole

4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 135295964) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole
PubChem CID135295964
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(CS(C)(=O)=O)co1
InChIInChI=1S/C8H13NO3S/c1-6(2)8-9-7(4-12-8)5-13(3,10)11/h4,6H,5H2,1-3H3
InChIKeyPIAYWNFZUNZJKS-UHFFFAOYSA-N
XLogP1.34
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole (CID 135295964) is 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(CS(C)(=O)=O)co1.
What is the InChIKey of 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is PIAYWNFZUNZJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-6(2)8-9-7(4-12-8)5-13(3,10)11/h4,6H,5H2,1-3H3.
What are the key properties of 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole?
4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 203.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 135295964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).