4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide

C13H14N2O3S — CID 122187163

IUPAC4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)cc1
InChIInChI=1S/C13H14N2O3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2,(H2,14,16,17)
InChIKeyPBBIQBHCBITKSQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.26
Rot. Bonds3

About 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide

4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 122187163) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID122187163
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)cc1
InChIInChI=1S/C13H14N2O3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2,(H2,14,16,17)
InChIKeyPBBIQBHCBITKSQ-UHFFFAOYSA-N
XLogP2.26
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide 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 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 122187163) is 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)cc1.
What is the InChIKey of 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is PBBIQBHCBITKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2,(H2,14,16,17).
What are the key properties of 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide?
4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 122187163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).