3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole

C13H17N3O3S — CID 56872796

IUPAC3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole
SMILESCC(c1ccon1)N(C)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H17N3O3S/c1-11(13-8-9-19-15-13)16(2)20(17,18)14-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3
InChIKeyDUXPHZJAQLIURZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.70
Rot. Bonds6

About 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole

3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole (PubChem CID 56872796) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole
PubChem CID56872796
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole
SMILESCC(c1ccon1)N(C)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H17N3O3S/c1-11(13-8-9-19-15-13)16(2)20(17,18)14-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3
InChIKeyDUXPHZJAQLIURZ-UHFFFAOYSA-N
XLogP1.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16191689
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2-[1-(3,4-Difluorobenzyl)-4-(isoxazol-3-ylmethyl)piperazin-2-yl]ethanol
CID 16189934
2-[1-Benzyl-4-(isoxazol-3-ylmethyl)piperazin-2-yl]ethanol
CID 16192315
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2-(dimethylamino)-N-(3-isoxazolylmethyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 72939059
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 75388509
N-[1-(3-isoxazolyl)ethyl]-N-methyl-3-(4-piperidinylmethyl)benzamide
CID 56906763
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylmethanesulfonamide
CID 37508506
1-(4-Fluorobenzyl)-5-[[1-(3-isoxazolyl)ethyl](methyl)amino]-2-azepanone
CID 45929318
1-[(2,4-Difluorophenyl)methyl]-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one
CID 45932368
1-[(3-Fluorophenyl)methyl]-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one
CID 45932448

Frequently Asked Questions

What is the IUPAC name of 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole?
The IUPAC name of 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole (CID 56872796) is 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole?
The canonical SMILES for 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole is CC(c1ccon1)N(C)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole?
The InChIKey is DUXPHZJAQLIURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-11(13-8-9-19-15-13)16(2)20(17,18)14-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3.
What are the key properties of 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole?
3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole has a molecular weight of 295.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,2-oxazole is sourced from PubChem (CID 56872796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).