4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine

C6H10N2O3S — CID 66199398

IUPAC4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
SMILESCc1c(N)noc1CS(C)(=O)=O
InChIInChI=1S/C6H10N2O3S/c1-4-5(3-12(2,9)10)11-8-6(4)7/h3H2,1-2H3,(H2,7,8)
InChIKeyLCHOFLOQRQYKND-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.11
Rot. Bonds2

About 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine

4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine (PubChem CID 66199398) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
PubChem CID66199398
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
SMILESCc1c(N)noc1CS(C)(=O)=O
InChIInChI=1S/C6H10N2O3S/c1-4-5(3-12(2,9)10)11-8-6(4)7/h3H2,1-2H3,(H2,7,8)
InChIKeyLCHOFLOQRQYKND-UHFFFAOYSA-N
XLogP0.11
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine (CID 66199398) is 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine is Cc1c(N)noc1CS(C)(=O)=O.
What is the InChIKey of 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The InChIKey is LCHOFLOQRQYKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-4-5(3-12(2,9)10)11-8-6(4)7/h3H2,1-2H3,(H2,7,8).
What are the key properties of 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine has a molecular weight of 190.22 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).