2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole

C10H8F3NOS — CID 101479641

IUPAC2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)Sc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)16-8-3-1-7(2-4-8)9-14-5-6-15-9/h1-4H,5-6H2
InChIKeyLERKXCOETBULFM-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.08
Rot. Bonds2

About 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole

2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101479641) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID101479641
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)Sc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)16-8-3-1-7(2-4-8)9-14-5-6-15-9/h1-4H,5-6H2
InChIKeyLERKXCOETBULFM-UHFFFAOYSA-N
XLogP3.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 101479641) is 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)Sc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LERKXCOETBULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c11-10(12,13)16-8-3-1-7(2-4-8)9-14-5-6-15-9/h1-4H,5-6H2.
What are the key properties of 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 247.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101479641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).