5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole

C8H10F3NOS — CID 134224595

IUPAC5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole
SMILESCC(C)c1cnc(SCC(F)(F)F)o1
InChIInChI=1S/C8H10F3NOS/c1-5(2)6-3-12-7(13-6)14-4-8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyAXGMEIDTGODHKP-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.45
Rot. Bonds3

About 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole

5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole (PubChem CID 134224595) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole
PubChem CID134224595
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole
SMILESCC(C)c1cnc(SCC(F)(F)F)o1
InChIInChI=1S/C8H10F3NOS/c1-5(2)6-3-12-7(13-6)14-4-8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyAXGMEIDTGODHKP-UHFFFAOYSA-N
XLogP3.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
The IUPAC name of 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole (CID 134224595) is 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
The canonical SMILES for 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole is CC(C)c1cnc(SCC(F)(F)F)o1.
What is the InChIKey of 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
The InChIKey is AXGMEIDTGODHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5(2)6-3-12-7(13-6)14-4-8(9,10)11/h3,5H,4H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole has a molecular weight of 225.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 134224595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).