3,5-dimethyl-1,2-oxazole-4-sulfonamide

C5H8N2O3S — CID 4962303

IUPAC3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(N)(=O)=O
InChIInChI=1S/C5H8N2O3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3,(H2,6,8,9)
InChIKeyGXRGFHCFXQFLBX-UHFFFAOYSA-N
MW176.20 g/mol
LogP-0.06
Rot. Bonds1

About 3,5-dimethyl-1,2-oxazole-4-sulfonamide

3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 4962303) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID4962303
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(N)(=O)=O
InChIInChI=1S/C5H8N2O3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3,(H2,6,8,9)
InChIKeyGXRGFHCFXQFLBX-UHFFFAOYSA-N
XLogP-0.06
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 4962303) is 3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(N)(=O)=O.
What is the InChIKey of 3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is GXRGFHCFXQFLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3,(H2,6,8,9).
What are the key properties of 3,5-dimethyl-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 176.20 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 4962303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).