2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine

C14H12F3NOS2 — CID 162534662

IUPAC2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
SMILESFC(F)(F)SC1CC(c2ccsc2)N(c2ccccc2)O1
InChIInChI=1S/C14H12F3NOS2/c15-14(16,17)21-13-8-12(10-6-7-20-9-10)18(19-13)11-4-2-1-3-5-11/h1-7,9,12-13H,8H2
InChIKeyMFPQXQWAVZIDFV-UHFFFAOYSA-N
MW331.38 g/mol
LogP5.21
Rot. Bonds3

About 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine

2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine (PubChem CID 162534662) has the molecular formula C14H12F3NOS2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine.

Molecular Properties

Compound Name2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
PubChem CID162534662
Molecular FormulaC14H12F3NOS2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC Name2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
SMILESFC(F)(F)SC1CC(c2ccsc2)N(c2ccccc2)O1
InChIInChI=1S/C14H12F3NOS2/c15-14(16,17)21-13-8-12(10-6-7-20-9-10)18(19-13)11-4-2-1-3-5-11/h1-7,9,12-13H,8H2
InChIKeyMFPQXQWAVZIDFV-UHFFFAOYSA-N
XLogP5.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine?
The IUPAC name of 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine (CID 162534662) is 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine.
What is the SMILES notation for 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine?
The canonical SMILES for 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine is FC(F)(F)SC1CC(c2ccsc2)N(c2ccccc2)O1.
What is the InChIKey of 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine?
The InChIKey is MFPQXQWAVZIDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS2/c15-14(16,17)21-13-8-12(10-6-7-20-9-10)18(19-13)11-4-2-1-3-5-11/h1-7,9,12-13H,8H2.
What are the key properties of 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine?
2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine has a molecular weight of 331.38 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine is sourced from PubChem (CID 162534662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).