2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide

C24H22N2O3S — CID 67625035

IUPAC2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1cc(C)cc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C24H22N2O3S/c1-16-12-17(2)14-19(13-16)23-24(20-10-6-7-11-21(20)30(25,27)28)29-22(26-23)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H2,25,27,28)
InChIKeyGSVUFCHGKZPZHQ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.86
Rot. Bonds5

About 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide

2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 67625035) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID67625035
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1cc(C)cc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C24H22N2O3S/c1-16-12-17(2)14-19(13-16)23-24(20-10-6-7-11-21(20)30(25,27)28)29-22(26-23)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H2,25,27,28)
InChIKeyGSVUFCHGKZPZHQ-UHFFFAOYSA-N
XLogP4.86
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-benzyl-4-(3,5-dimethylphenyl)-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 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 67625035) is 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is Cc1cc(C)cc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is GSVUFCHGKZPZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-12-17(2)14-19(13-16)23-24(20-10-6-7-11-21(20)30(25,27)28)29-22(26-23)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H2,25,27,28).
What are the key properties of 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67625035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).