N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide

C8H14N2O4S — CID 89488972

IUPACN-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cnoc1C
InChIInChI=1S/C8H14N2O4S/c1-3-7(11)4-10-15(12,13)8-5-9-14-6(8)2/h5,7,10-11H,3-4H2,1-2H3
InChIKeyYLWKJZNGRSJBGI-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.03
Rot. Bonds5

About N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide

N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 89488972) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide
PubChem CID89488972
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC NameN-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cnoc1C
InChIInChI=1S/C8H14N2O4S/c1-3-7(11)4-10-15(12,13)8-5-9-14-6(8)2/h5,7,10-11H,3-4H2,1-2H3
InChIKeyYLWKJZNGRSJBGI-UHFFFAOYSA-N
XLogP0.03
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide (CID 89488972) is N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide is CCC(O)CNS(=O)(=O)c1cnoc1C.
What is the InChIKey of N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YLWKJZNGRSJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-3-7(11)4-10-15(12,13)8-5-9-14-6(8)2/h5,7,10-11H,3-4H2,1-2H3.
What are the key properties of N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide?
N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-5-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 89488972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).