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

C24H21NO3S — CID 18701525

IUPAC4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2nc(CCc3ccccc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C24H21NO3S/c1-29(26,27)21-15-13-19(14-16-21)23-24(20-10-6-3-7-11-20)28-22(25-23)17-12-18-8-4-2-5-9-18/h2-11,13-16H,12,17H2,1H3
InChIKeySBKYUUGDTLWSAU-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.20
Rot. Bonds6

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

4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole (PubChem CID 18701525) has the molecular formula C24H21NO3S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole
PubChem CID18701525
Molecular FormulaC24H21NO3S
Molecular Weight403.50 g/mol
Exact Mass403.12
IUPAC Name4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2nc(CCc3ccccc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C24H21NO3S/c1-29(26,27)21-15-13-19(14-16-21)23-24(20-10-6-3-7-11-20)28-22(25-23)17-12-18-8-4-2-5-9-18/h2-11,13-16H,12,17H2,1H3
InChIKeySBKYUUGDTLWSAU-UHFFFAOYSA-N
XLogP5.20
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole?
The IUPAC name of 4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole (CID 18701525) is 4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole is CS(=O)(=O)c1ccc(-c2nc(CCc3ccccc3)oc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole?
The InChIKey is SBKYUUGDTLWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3S/c1-29(26,27)21-15-13-19(14-16-21)23-24(20-10-6-3-7-11-20)28-22(25-23)17-12-18-8-4-2-5-9-18/h2-11,13-16H,12,17H2,1H3.
What are the key properties of 4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole?
4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole has a molecular weight of 403.50 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole is sourced from PubChem (CID 18701525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).