1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine

C9H16N2O3S — CID 106388143

IUPAC1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCc1cnc(C(C)NCCS(C)(=O)=O)o1
InChIInChI=1S/C9H16N2O3S/c1-7-6-11-9(14-7)8(2)10-4-5-15(3,12)13/h6,8,10H,4-5H2,1-3H3
InChIKeyLZFMVVZNRSCKCO-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.68
Rot. Bonds5

About 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine

1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 106388143) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID106388143
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCc1cnc(C(C)NCCS(C)(=O)=O)o1
InChIInChI=1S/C9H16N2O3S/c1-7-6-11-9(14-7)8(2)10-4-5-15(3,12)13/h6,8,10H,4-5H2,1-3H3
InChIKeyLZFMVVZNRSCKCO-UHFFFAOYSA-N
XLogP0.68
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893402
N',N'-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethane-1,2-diamine
CID 104579639
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine
CID 104764634
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 103893723
1-(5-methyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 104579884
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387542
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 104579640
2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile
CID 104579885
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine (CID 106388143) is 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine is Cc1cnc(C(C)NCCS(C)(=O)=O)o1.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is LZFMVVZNRSCKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-7-6-11-9(14-7)8(2)10-4-5-15(3,12)13/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine?
1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 232.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 106388143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).