2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole

C10H7F2NO2S — CID 67022683

IUPAC2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole
SMILESO=S(Cc1c(F)cccc1F)c1ncco1
InChIInChI=1S/C10H7F2NO2S/c11-8-2-1-3-9(12)7(8)6-16(14)10-13-4-5-15-10/h1-5H,6H2
InChIKeyJYOMMMZAOCCCCQ-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.26
Rot. Bonds3

About 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole

2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole (PubChem CID 67022683) has the molecular formula C10H7F2NO2S and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole
PubChem CID67022683
Molecular FormulaC10H7F2NO2S
Molecular Weight243.23 g/mol
Exact Mass243.02
IUPAC Name2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole
SMILESO=S(Cc1c(F)cccc1F)c1ncco1
InChIInChI=1S/C10H7F2NO2S/c11-8-2-1-3-9(12)7(8)6-16(14)10-13-4-5-15-10/h1-5H,6H2
InChIKeyJYOMMMZAOCCCCQ-UHFFFAOYSA-N
XLogP2.26
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole?
The IUPAC name of 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole (CID 67022683) is 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole?
The canonical SMILES for 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole is O=S(Cc1c(F)cccc1F)c1ncco1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole?
The InChIKey is JYOMMMZAOCCCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2S/c11-8-2-1-3-9(12)7(8)6-16(14)10-13-4-5-15-10/h1-5H,6H2.
What are the key properties of 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole?
2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole has a molecular weight of 243.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-oxazole is sourced from PubChem (CID 67022683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).