4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole

C25H22FNO3S — CID 57028558

IUPAC4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(CC(Cc2ocnc2-c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H22FNO3S/c1-31(28,29)23-13-7-18(8-14-23)15-21(19-5-3-2-4-6-19)16-24-25(27-17-30-24)20-9-11-22(26)12-10-20/h2-14,17,21H,15-16H2,1H3
InChIKeyRUIYFQBBIRAIRU-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.45
Rot. Bonds7

About 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole

4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole (PubChem CID 57028558) has the molecular formula C25H22FNO3S and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole
PubChem CID57028558
Molecular FormulaC25H22FNO3S
Molecular Weight435.52 g/mol
Exact Mass435.13
IUPAC Name4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(CC(Cc2ocnc2-c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H22FNO3S/c1-31(28,29)23-13-7-18(8-14-23)15-21(19-5-3-2-4-6-19)16-24-25(27-17-30-24)20-9-11-22(26)12-10-20/h2-14,17,21H,15-16H2,1H3
InChIKeyRUIYFQBBIRAIRU-UHFFFAOYSA-N
XLogP5.45
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
CID 10271885
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-oxazole
CID 17876325
5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-oxazole
CID 17876403
4-(4-Fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 138972807
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)-1,3-oxazole
CID 9888434
2-Benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 15463762
2-Benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 15463764
5-(4-Fluorophenyl)-4-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
CID 15463765
2-Cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 15463766
2-Benzyl-4-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701476
2-Benzyl-5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701479
2-Benzyl-5-(2-fluoro-6-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701535

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole (CID 57028558) is 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole is CS(=O)(=O)c1ccc(CC(Cc2ocnc2-c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole?
The InChIKey is RUIYFQBBIRAIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO3S/c1-31(28,29)23-13-7-18(8-14-23)15-21(19-5-3-2-4-6-19)16-24-25(27-17-30-24)20-9-11-22(26)12-10-20/h2-14,17,21H,15-16H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole?
4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole has a molecular weight of 435.52 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole is sourced from PubChem (CID 57028558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).