5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole

C6H6F3NOS — CID 130467264

IUPAC5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole
SMILESCc1cnc(SCC(F)(F)F)o1
InChIInChI=1S/C6H6F3NOS/c1-4-2-10-5(11-4)12-3-6(7,8)9/h2H,3H2,1H3
InChIKeyJEABMCDDIOKIEN-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.64
Rot. Bonds2

About 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole

5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole (PubChem CID 130467264) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole
PubChem CID130467264
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole
SMILESCc1cnc(SCC(F)(F)F)o1
InChIInChI=1S/C6H6F3NOS/c1-4-2-10-5(11-4)12-3-6(7,8)9/h2H,3H2,1H3
InChIKeyJEABMCDDIOKIEN-UHFFFAOYSA-N
XLogP2.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole (CID 130467264) is 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole is Cc1cnc(SCC(F)(F)F)o1.
What is the InChIKey of 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
The InChIKey is JEABMCDDIOKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-4-2-10-5(11-4)12-3-6(7,8)9/h2H,3H2,1H3.
What are the key properties of 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole has a molecular weight of 197.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 130467264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).