5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole

C9H12F3NO2S — CID 12993969

IUPAC5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole
SMILESCOCc1cnc(SCCC(F)C(F)F)o1
InChIInChI=1S/C9H12F3NO2S/c1-14-5-6-4-13-9(15-6)16-3-2-7(10)8(11)12/h4,7-8H,2-3,5H2,1H3
InChIKeyGNJAZFOZVOGOJQ-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.91
Rot. Bonds7

About 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole

5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole (PubChem CID 12993969) has the molecular formula C9H12F3NO2S and a molecular weight of 255.26 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole
PubChem CID12993969
Molecular FormulaC9H12F3NO2S
Molecular Weight255.26 g/mol
Exact Mass255.05
IUPAC Name5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole
SMILESCOCc1cnc(SCCC(F)C(F)F)o1
InChIInChI=1S/C9H12F3NO2S/c1-14-5-6-4-13-9(15-6)16-3-2-7(10)8(11)12/h4,7-8H,2-3,5H2,1H3
InChIKeyGNJAZFOZVOGOJQ-UHFFFAOYSA-N
XLogP2.91
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole?
The IUPAC name of 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole (CID 12993969) is 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole?
The canonical SMILES for 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole is COCc1cnc(SCCC(F)C(F)F)o1.
What is the InChIKey of 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole?
The InChIKey is GNJAZFOZVOGOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c1-14-5-6-4-13-9(15-6)16-3-2-7(10)8(11)12/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole?
5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole has a molecular weight of 255.26 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 12993969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).