4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole

C5H4F3NOS — CID 144946107

IUPAC4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole
SMILESCc1coc(SC(F)(F)F)n1
InChIInChI=1S/C5H4F3NOS/c1-3-2-10-4(9-3)11-5(6,7)8/h2H,1H3
InChIKeyCQJNGKPXBLDJIR-UHFFFAOYSA-N
MW183.15 g/mol
LogP2.59
Rot. Bonds1

About 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole

4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole (PubChem CID 144946107) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole
PubChem CID144946107
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole
SMILESCc1coc(SC(F)(F)F)n1
InChIInChI=1S/C5H4F3NOS/c1-3-2-10-4(9-3)11-5(6,7)8/h2H,1H3
InChIKeyCQJNGKPXBLDJIR-UHFFFAOYSA-N
XLogP2.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole?
The IUPAC name of 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole (CID 144946107) is 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole is Cc1coc(SC(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole?
The InChIKey is CQJNGKPXBLDJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c1-3-2-10-4(9-3)11-5(6,7)8/h2H,1H3.
What are the key properties of 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole?
4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole has a molecular weight of 183.15 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 144946107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).