(5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole

C23H20FNO3S — CID 166443800

IUPAC(5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)C[C@@]2(c3ccccc3)CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C23H20FNO3S/c1-17-10-12-21(13-11-17)29(26,27)16-23(19-7-3-2-4-8-19)15-22(25-28-23)18-6-5-9-20(24)14-18/h2-14H,15-16H2,1H3/t23-/m1/s1
InChIKeyLRCZMTJNPXKSGJ-HSZRJFAPSA-N
MW409.48 g/mol
LogP4.63
Rot. Bonds5

About (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole

(5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole (PubChem CID 166443800) has the molecular formula C23H20FNO3S and a molecular weight of 409.48 g/mol. Its IUPAC name is (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole
PubChem CID166443800
Molecular FormulaC23H20FNO3S
Molecular Weight409.48 g/mol
Exact Mass409.11
IUPAC Name(5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)C[C@@]2(c3ccccc3)CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C23H20FNO3S/c1-17-10-12-21(13-11-17)29(26,27)16-23(19-7-3-2-4-8-19)15-22(25-28-23)18-6-5-9-20(24)14-18/h2-14H,15-16H2,1H3/t23-/m1/s1
InChIKeyLRCZMTJNPXKSGJ-HSZRJFAPSA-N
XLogP4.63
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole?
The IUPAC name of (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole (CID 166443800) is (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole.
What is the SMILES notation for (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole?
The canonical SMILES for (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole is Cc1ccc(S(=O)(=O)C[C@@]2(c3ccccc3)CC(c3cccc(F)c3)=NO2)cc1.
What is the InChIKey of (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole?
The InChIKey is LRCZMTJNPXKSGJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20FNO3S/c1-17-10-12-21(13-11-17)29(26,27)16-23(19-7-3-2-4-8-19)15-22(25-28-23)18-6-5-9-20(24)14-18/h2-14H,15-16H2,1H3/t23-/m1/s1.
What are the key properties of (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole?
(5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole has a molecular weight of 409.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 166443800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).