N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide

C16H14N2O3S — CID 101110709

IUPACN-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1noc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H14N2O3S/c1-22(19,20)18-16-14(12-8-4-2-5-9-12)15(21-17-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18)
InChIKeyGHTYBNBDWHSYFG-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.38
Rot. Bonds4

About N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide

N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 101110709) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID101110709
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1noc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H14N2O3S/c1-22(19,20)18-16-14(12-8-4-2-5-9-12)15(21-17-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18)
InChIKeyGHTYBNBDWHSYFG-UHFFFAOYSA-N
XLogP3.38
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide (CID 101110709) is N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide is CS(=O)(=O)Nc1noc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is GHTYBNBDWHSYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-22(19,20)18-16-14(12-8-4-2-5-9-12)15(21-17-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18).
What are the key properties of N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 101110709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).