2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine

C10H18N2O4S — CID 82181181

IUPAC2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine
SMILESCc1noc(C)c1CS(=O)(=O)CCOCCN
InChIInChI=1S/C10H18N2O4S/c1-8-10(9(2)16-12-8)7-17(13,14)6-5-15-4-3-11/h3-7,11H2,1-2H3
InChIKeyUBORVYLTFFWRGX-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.18
Rot. Bonds7

About 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine (PubChem CID 82181181) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine
PubChem CID82181181
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine
SMILESCc1noc(C)c1CS(=O)(=O)CCOCCN
InChIInChI=1S/C10H18N2O4S/c1-8-10(9(2)16-12-8)7-17(13,14)6-5-15-4-3-11/h3-7,11H2,1-2H3
InChIKeyUBORVYLTFFWRGX-UHFFFAOYSA-N
XLogP0.18
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86923030
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonylmethyl]benzoic acid
CID 94805166
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide
CID 22499300
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-(3,5-dimethylphenyl)ethanol
CID 111472429
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanoic acid
CID 82180799
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine
CID 58684565
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole
CID 55573866
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
(1S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-(3,4-dimethylphenyl)ethanol
CID 95197515
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 91829294
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine (CID 82181181) is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine is Cc1noc(C)c1CS(=O)(=O)CCOCCN.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine?
The InChIKey is UBORVYLTFFWRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-8-10(9(2)16-12-8)7-17(13,14)6-5-15-4-3-11/h3-7,11H2,1-2H3.
What are the key properties of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine?
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine has a molecular weight of 262.33 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine is sourced from PubChem (CID 82181181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).