3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine

C17H16F3NO2S — CID 162534654

IUPAC3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
SMILESCOc1ccc(C2CC(SC(F)(F)F)ON2c2ccccc2)cc1
InChIInChI=1S/C17H16F3NO2S/c1-22-14-9-7-12(8-10-14)15-11-16(24-17(18,19)20)23-21(15)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3
InChIKeyLLTWXAUVICGHHQ-UHFFFAOYSA-N
MW355.38 g/mol
LogP5.16
Rot. Bonds4

About 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine

3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine (PubChem CID 162534654) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
PubChem CID162534654
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
SMILESCOc1ccc(C2CC(SC(F)(F)F)ON2c2ccccc2)cc1
InChIInChI=1S/C17H16F3NO2S/c1-22-14-9-7-12(8-10-14)15-11-16(24-17(18,19)20)23-21(15)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3
InChIKeyLLTWXAUVICGHHQ-UHFFFAOYSA-N
XLogP5.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine?
The IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine (CID 162534654) is 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine is COc1ccc(C2CC(SC(F)(F)F)ON2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine?
The InChIKey is LLTWXAUVICGHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-22-14-9-7-12(8-10-14)15-11-16(24-17(18,19)20)23-21(15)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine?
3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine has a molecular weight of 355.38 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine is sourced from PubChem (CID 162534654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).