1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide

C17H16N2O3S — CID 110402163

IUPAC1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1oncc1-c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-13-7-5-6-10-15(13)12-23(20,21)19-17-16(11-18-22-17)14-8-3-2-4-9-14/h2-11,19H,12H2,1H3
InChIKeyVBJMVAYZNIFVJZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.59
Rot. Bonds5

About 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide

1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide (PubChem CID 110402163) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide
PubChem CID110402163
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1oncc1-c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-13-7-5-6-10-15(13)12-23(20,21)19-17-16(11-18-22-17)14-8-3-2-4-9-14/h2-11,19H,12H2,1H3
InChIKeyVBJMVAYZNIFVJZ-UHFFFAOYSA-N
XLogP3.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide (CID 110402163) is 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)Nc1oncc1-c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
The InChIKey is VBJMVAYZNIFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-13-7-5-6-10-15(13)12-23(20,21)19-17-16(11-18-22-17)14-8-3-2-4-9-14/h2-11,19H,12H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(4-phenyl-1,2-oxazol-5-yl)methanesulfonamide is sourced from PubChem (CID 110402163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).