[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine

C7H12N2O3S — CID 104522601

IUPAC[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine
SMILESCC(c1cnc(CN)o1)S(C)(=O)=O
InChIInChI=1S/C7H12N2O3S/c1-5(13(2,10)11)6-4-9-7(3-8)12-6/h4-5H,3,8H2,1-2H3
InChIKeyKKJRAEVCXWOPLI-UHFFFAOYSA-N
MW204.25 g/mol
LogP0.24
Rot. Bonds3

About [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine

[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 104522601) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine
PubChem CID104522601
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine
SMILESCC(c1cnc(CN)o1)S(C)(=O)=O
InChIInChI=1S/C7H12N2O3S/c1-5(13(2,10)11)6-4-9-7(3-8)12-6/h4-5H,3,8H2,1-2H3
InChIKeyKKJRAEVCXWOPLI-UHFFFAOYSA-N
XLogP0.24
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine (CID 104522601) is [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine is CC(c1cnc(CN)o1)S(C)(=O)=O.
What is the InChIKey of [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is KKJRAEVCXWOPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-5(13(2,10)11)6-4-9-7(3-8)12-6/h4-5H,3,8H2,1-2H3.
What are the key properties of [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine?
[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 204.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 104522601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).