5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine

C6H10N2O3S — CID 104522881

IUPAC5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
SMILESCC(c1cc(N)no1)S(C)(=O)=O
InChIInChI=1S/C6H10N2O3S/c1-4(12(2,9)10)5-3-6(7)8-11-5/h3-4H,1-2H3,(H2,7,8)
InChIKeyRBUATVJZHOMQOS-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.36
Rot. Bonds2

About 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine

5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine (PubChem CID 104522881) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
PubChem CID104522881
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
SMILESCC(c1cc(N)no1)S(C)(=O)=O
InChIInChI=1S/C6H10N2O3S/c1-4(12(2,9)10)5-3-6(7)8-11-5/h3-4H,1-2H3,(H2,7,8)
InChIKeyRBUATVJZHOMQOS-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine (CID 104522881) is 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine is CC(c1cc(N)no1)S(C)(=O)=O.
What is the InChIKey of 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
The InChIKey is RBUATVJZHOMQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-4(12(2,9)10)5-3-6(7)8-11-5/h3-4H,1-2H3,(H2,7,8).
What are the key properties of 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine has a molecular weight of 190.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 104522881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).