4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide

C19H20N2O3S — CID 20955410

IUPAC4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)oc2C)cc1
InChIInChI=1S/C19H20N2O3S/c1-13-8-10-16(11-9-13)25(22,23)20-12-18-15(3)24-19(21-18)17-7-5-4-6-14(17)2/h4-11,20H,12H2,1-3H3
InChIKeyBHLPZHXWEQUVNJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.75
Rot. Bonds5

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

4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide (PubChem CID 20955410) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
PubChem CID20955410
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)oc2C)cc1
InChIInChI=1S/C19H20N2O3S/c1-13-8-10-16(11-9-13)25(22,23)20-12-18-15(3)24-19(21-18)17-7-5-4-6-14(17)2/h4-11,20H,12H2,1-3H3
InChIKeyBHLPZHXWEQUVNJ-UHFFFAOYSA-N
XLogP3.75
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]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-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide (CID 20955410) is 4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)oc2C)cc1.
What is the InChIKey of 4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is BHLPZHXWEQUVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-8-10-16(11-9-13)25(22,23)20-12-18-15(3)24-19(21-18)17-7-5-4-6-14(17)2/h4-11,20H,12H2,1-3H3.
What are the key properties of 4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide?
4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 20955410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).