N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide

C14H18N2O3S — CID 126821570

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NCc1oc(C)nc1C
InChIInChI=1S/C14H18N2O3S/c1-4-12-7-5-6-8-14(12)20(17,18)15-9-13-10(2)16-11(3)19-13/h5-8,15H,4,9H2,1-3H3
InChIKeyWVKWETSEBNWLDQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.33
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide (PubChem CID 126821570) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide
PubChem CID126821570
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NCc1oc(C)nc1C
InChIInChI=1S/C14H18N2O3S/c1-4-12-7-5-6-8-14(12)20(17,18)15-9-13-10(2)16-11(3)19-13/h5-8,15H,4,9H2,1-3H3
InChIKeyWVKWETSEBNWLDQ-UHFFFAOYSA-N
XLogP2.33
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide 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-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide (CID 126821570) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide is CCc1ccccc1S(=O)(=O)NCc1oc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide?
The InChIKey is WVKWETSEBNWLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-12-7-5-6-8-14(12)20(17,18)15-9-13-10(2)16-11(3)19-13/h5-8,15H,4,9H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide is sourced from PubChem (CID 126821570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).