3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide

C12H15N3O4S — CID 110730460

IUPAC3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccn(C)c1=O
InChIInChI=1S/C12H15N3O4S/c1-8-11(9(2)19-14-8)20(17,18)13-7-10-5-4-6-15(3)12(10)16/h4-6,13H,7H2,1-3H3
InChIKeyIUBZJQJCPMCWBD-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.47
Rot. Bonds4

About 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 110730460) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID110730460
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccn(C)c1=O
InChIInChI=1S/C12H15N3O4S/c1-8-11(9(2)19-14-8)20(17,18)13-7-10-5-4-6-15(3)12(10)16/h4-6,13H,7H2,1-3H3
InChIKeyIUBZJQJCPMCWBD-UHFFFAOYSA-N
XLogP0.47
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95982538
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
4-methoxy-2,6-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730456
N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35389987
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28536639
3,5-dimethyl-N-[2-(2-oxo-1-pyridinyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75512081
N-(1,3-benzothiazol-7-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 164692792
3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 45496984
3,5-dimethyl-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 53000362
4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730424

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide (CID 110730460) is 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cccn(C)c1=O.
What is the InChIKey of 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is IUBZJQJCPMCWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8-11(9(2)19-14-8)20(17,18)13-7-10-5-4-6-15(3)12(10)16/h4-6,13H,7H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110730460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).