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

C22H16FNO3S — CID 15463765

IUPAC5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FNO3S/c1-28(25,26)19-13-9-15(10-14-19)20-21(16-7-11-18(23)12-8-16)27-22(24-20)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyMSHHIJNGAMTAEU-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.22
Rot. Bonds4

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

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole (PubChem CID 15463765) has the molecular formula C22H16FNO3S and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
PubChem CID15463765
Molecular FormulaC22H16FNO3S
Molecular Weight393.44 g/mol
Exact Mass393.08
IUPAC Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FNO3S/c1-28(25,26)19-13-9-15(10-14-19)20-21(16-7-11-18(23)12-8-16)27-22(24-20)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyMSHHIJNGAMTAEU-UHFFFAOYSA-N
XLogP5.22
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole 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 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole (CID 15463765) is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole is CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The InChIKey is MSHHIJNGAMTAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3S/c1-28(25,26)19-13-9-15(10-14-19)20-21(16-7-11-18(23)12-8-16)27-22(24-20)17-5-3-2-4-6-17/h2-14H,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole has a molecular weight of 393.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 15463765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).