5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole

C23H19NO4S — CID 18701821

IUPAC5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(COc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H19NO4S/c1-29(25,26)20-14-12-18(13-15-20)23-22(17-8-4-2-5-9-17)24-21(28-23)16-27-19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyCFGRUYCAEHLCSK-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.99
Rot. Bonds6

About 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole

5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole (PubChem CID 18701821) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole
PubChem CID18701821
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(COc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H19NO4S/c1-29(25,26)20-14-12-18(13-15-20)23-22(17-8-4-2-5-9-17)24-21(28-23)16-27-19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyCFGRUYCAEHLCSK-UHFFFAOYSA-N
XLogP4.99
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole?
The IUPAC name of 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole (CID 18701821) is 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole is CS(=O)(=O)c1ccc(-c2oc(COc3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole?
The InChIKey is CFGRUYCAEHLCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-29(25,26)20-14-12-18(13-15-20)23-22(17-8-4-2-5-9-17)24-21(28-23)16-27-19-10-6-3-7-11-19/h2-15H,16H2,1H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole?
5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole has a molecular weight of 405.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole is sourced from PubChem (CID 18701821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).