3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide

C9H12N4O3S — CID 54897462

IUPAC3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H12N4O3S/c1-6-9(7(2)16-13-6)17(14,15)12-5-8-3-10-11-4-8/h3-4,12H,5H2,1-2H3,(H,10,11)
InChIKeyYJFSSGUSJGHCMH-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.49
Rot. Bonds4

About 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 54897462) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide
PubChem CID54897462
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H12N4O3S/c1-6-9(7(2)16-13-6)17(14,15)12-5-8-3-10-11-4-8/h3-4,12H,5H2,1-2H3,(H,10,11)
InChIKeyYJFSSGUSJGHCMH-UHFFFAOYSA-N
XLogP0.49
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide
CID 106015963
2-amino-3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103171290
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47359122
N-[[4-(2-methoxyphenyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53322135
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
3,5-dimethyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110785205
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110734385

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide (CID 54897462) is 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is YJFSSGUSJGHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-6-9(7(2)16-13-6)17(14,15)12-5-8-3-10-11-4-8/h3-4,12H,5H2,1-2H3,(H,10,11).
What are the key properties of 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 54897462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).