1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C10H19N3O4S — CID 104636674

IUPAC1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H19N3O4S/c1-5-16-6-10(3,11)9-12-8(17-13-9)7(2)18(4,14)15/h7H,5-6,11H2,1-4H3
InChIKeyRNCWPVWOSWVPIB-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.39
Rot. Bonds6

About 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104636674) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104636674
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H19N3O4S/c1-5-16-6-10(3,11)9-12-8(17-13-9)7(2)18(4,14)15/h7H,5-6,11H2,1-4H3
InChIKeyRNCWPVWOSWVPIB-UHFFFAOYSA-N
XLogP0.39
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103310878
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
1-ethoxy-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636628
2-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637345
2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636424
1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636821
2-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637046
2-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 113435718
2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-1-ethoxypropan-2-amine
CID 104636868
1-ethoxy-2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 102922612
3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole
CID 131201821
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104636674) is 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCOCC(C)(N)c1noc(C(C)S(C)(=O)=O)n1.
What is the InChIKey of 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is RNCWPVWOSWVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-5-16-6-10(3,11)9-12-8(17-13-9)7(2)18(4,14)15/h7H,5-6,11H2,1-4H3.
What are the key properties of 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 277.35 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104636674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).