2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide

C8H13N3O4S — CID 27687531

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(N)=O
InChIInChI=1S/C8H13N3O4S/c1-5-8(6(2)15-10-5)16(13,14)11(3)4-7(9)12/h4H2,1-3H3,(H2,9,12)
InChIKeyIYPMXANVOKJUFD-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.60
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide (PubChem CID 27687531) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
PubChem CID27687531
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(N)=O
InChIInChI=1S/C8H13N3O4S/c1-5-8(6(2)15-10-5)16(13,14)11(3)4-7(9)12/h4H2,1-3H3,(H2,9,12)
InChIKeyIYPMXANVOKJUFD-UHFFFAOYSA-N
XLogP-0.60
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 17402913
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119967422
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
N-[(2-hydroxycyclopentyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 109396009
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 110335555
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 27687567
N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 24608465
N-(1H-imidazol-2-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 64518245
N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39350742
N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
CID 28708029
N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110636148

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide (CID 27687531) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide is Cc1noc(C)c1S(=O)(=O)N(C)CC(N)=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
The InChIKey is IYPMXANVOKJUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-5-8(6(2)15-10-5)16(13,14)11(3)4-7(9)12/h4H2,1-3H3,(H2,9,12).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide has a molecular weight of 247.28 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 27687531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).