1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol

C24H20FNO4S — CID 57191753

IUPAC1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol
SMILESCS(=O)(=O)c1ccc(-c2ocnc2CC(O)(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FNO4S/c1-31(28,29)21-13-7-17(8-14-21)23-22(26-16-30-23)15-24(27,18-5-3-2-4-6-18)19-9-11-20(25)12-10-19/h2-14,16,27H,15H2,1H3
InChIKeyMXLWSKYFXVMBHL-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.36
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol

1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol (PubChem CID 57191753) has the molecular formula C24H20FNO4S and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol
PubChem CID57191753
Molecular FormulaC24H20FNO4S
Molecular Weight437.49 g/mol
Exact Mass437.11
IUPAC Name1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol
SMILESCS(=O)(=O)c1ccc(-c2ocnc2CC(O)(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FNO4S/c1-31(28,29)21-13-7-17(8-14-21)23-22(26-16-30-23)15-24(27,18-5-3-2-4-6-18)19-9-11-20(25)12-10-19/h2-14,16,27H,15H2,1H3
InChIKeyMXLWSKYFXVMBHL-UHFFFAOYSA-N
XLogP4.36
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol (CID 57191753) is 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol is CS(=O)(=O)c1ccc(-c2ocnc2CC(O)(c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol?
The InChIKey is MXLWSKYFXVMBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4S/c1-31(28,29)21-13-7-17(8-14-21)23-22(26-16-30-23)15-24(27,18-5-3-2-4-6-18)19-9-11-20(25)12-10-19/h2-14,16,27H,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol?
1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol has a molecular weight of 437.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol is sourced from PubChem (CID 57191753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).