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

C11H10F3NOS — CID 102423350

IUPAC2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)Sc1ccc(CC2=NCCO2)cc1
InChIInChI=1S/C11H10F3NOS/c12-11(13,14)17-9-3-1-8(2-4-9)7-10-15-5-6-16-10/h1-4H,5-7H2
InChIKeyMICJMONCRZBPIU-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.27
Rot. Bonds3

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

2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102423350) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID102423350
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)Sc1ccc(CC2=NCCO2)cc1
InChIInChI=1S/C11H10F3NOS/c12-11(13,14)17-9-3-1-8(2-4-9)7-10-15-5-6-16-10/h1-4H,5-7H2
InChIKeyMICJMONCRZBPIU-UHFFFAOYSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(Trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 101479641
2-[Difluoro-(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 149746976
2-[Phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole
CID 14940021

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole (CID 102423350) is 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)Sc1ccc(CC2=NCCO2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MICJMONCRZBPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c12-11(13,14)17-9-3-1-8(2-4-9)7-10-15-5-6-16-10/h1-4H,5-7H2.
What are the key properties of 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole?
2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 261.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102423350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).