1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C10H19N3O4S — CID 104636589

IUPAC1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOCC(C)(N)c1noc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H19N3O4S/c1-9(2,18(5,14)15)8-12-7(13-17-8)10(3,11)6-16-4/h6,11H2,1-5H3
InChIKeyYLNQXPSLZYBHNR-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.17
Rot. Bonds5

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

1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104636589) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104636589
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOCC(C)(N)c1noc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H19N3O4S/c1-9(2,18(5,14)15)8-12-7(13-17-8)10(3,11)6-16-4/h6,11H2,1-5H3
InChIKeyYLNQXPSLZYBHNR-UHFFFAOYSA-N
XLogP0.17
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 114212439
1-methoxy-2-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636505
2-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 103166275
2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636424
2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine
CID 43559825
1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636304
2-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636396
2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636347
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636584
1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107940748
1-methoxy-2-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636466
1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636674

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104636589) is 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is COCC(C)(N)c1noc(C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is YLNQXPSLZYBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-9(2,18(5,14)15)8-12-7(13-17-8)10(3,11)6-16-4/h6,11H2,1-5H3.
What are the key properties of 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 277.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104636589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).