3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide

C13H17N3O3S — CID 60720836

IUPAC3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1cc(CNC(C)c2cccc(S(N)(=O)=O)c2)on1
InChIInChI=1S/C13H17N3O3S/c1-9-6-12(19-16-9)8-15-10(2)11-4-3-5-13(7-11)20(14,17)18/h3-7,10,15H,8H2,1-2H3,(H2,14,17,18)
InChIKeyQQBYQINYFMDLIR-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.48
Rot. Bonds5

About 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide

3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide (PubChem CID 60720836) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
PubChem CID60720836
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1cc(CNC(C)c2cccc(S(N)(=O)=O)c2)on1
InChIInChI=1S/C13H17N3O3S/c1-9-6-12(19-16-9)8-15-10(2)11-4-3-5-13(7-11)20(14,17)18/h3-7,10,15H,8H2,1-2H3,(H2,14,17,18)
InChIKeyQQBYQINYFMDLIR-UHFFFAOYSA-N
XLogP1.48
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961
3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 62055705
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide
CID 60697901
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713930
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719398
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 62091240
4-[1-(3-sulfamoylphenyl)ethylamino]butanoic acid
CID 60782795
3-[1-(3-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115898473
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide (CID 60720836) is 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide is Cc1cc(CNC(C)c2cccc(S(N)(=O)=O)c2)on1.
What is the InChIKey of 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is QQBYQINYFMDLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-6-12(19-16-9)8-15-10(2)11-4-3-5-13(7-11)20(14,17)18/h3-7,10,15H,8H2,1-2H3,(H2,14,17,18).
What are the key properties of 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide?
3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 60720836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).