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

C9H16N2O3S — CID 104522610

IUPACN-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(C(C)S(C)(=O)=O)o1
InChIInChI=1S/C9H16N2O3S/c1-4-10-6-9-11-5-8(14-9)7(2)15(3,12)13/h5,7,10H,4,6H2,1-3H3
InChIKeyAXIJAITWQWSVQT-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.89
Rot. Bonds5

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

N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 104522610) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID104522610
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(C(C)S(C)(=O)=O)o1
InChIInChI=1S/C9H16N2O3S/c1-4-10-6-9-11-5-8(14-9)7(2)15(3,12)13/h5,7,10H,4,6H2,1-3H3
InChIKeyAXIJAITWQWSVQT-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-5-(1-methylsulfonylethyl)-1,3-oxazole
CID 104522592
[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine
CID 104522601
N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 104522638
2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114180265
N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine
CID 115087026
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106378084
N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187355
N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 83151593
N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183862
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-N-propan-2-ylacetamide
CID 106372389

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 104522610) is N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(C(C)S(C)(=O)=O)o1.
What is the InChIKey of N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is AXIJAITWQWSVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-4-10-6-9-11-5-8(14-9)7(2)15(3,12)13/h5,7,10H,4,6H2,1-3H3.
What are the key properties of N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 232.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 104522610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).