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

C11H9F2NO2S — CID 67022440

IUPAC2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
SMILESCc1ccc(F)c(CS(=O)c2ncco2)c1F
InChIInChI=1S/C11H9F2NO2S/c1-7-2-3-9(12)8(10(7)13)6-17(15)11-14-4-5-16-11/h2-5H,6H2,1H3
InChIKeyHIDYZOQYUSMELE-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.57
Rot. Bonds3

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

2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole (PubChem CID 67022440) has the molecular formula C11H9F2NO2S and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
PubChem CID67022440
Molecular FormulaC11H9F2NO2S
Molecular Weight257.26 g/mol
Exact Mass257.03
IUPAC Name2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
SMILESCc1ccc(F)c(CS(=O)c2ncco2)c1F
InChIInChI=1S/C11H9F2NO2S/c1-7-2-3-9(12)8(10(7)13)6-17(15)11-14-4-5-16-11/h2-5H,6H2,1H3
InChIKeyHIDYZOQYUSMELE-UHFFFAOYSA-N
XLogP2.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole?
The IUPAC name of 2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole (CID 67022440) is 2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole?
The canonical SMILES for 2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole is Cc1ccc(F)c(CS(=O)c2ncco2)c1F.
What is the InChIKey of 2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole?
The InChIKey is HIDYZOQYUSMELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2S/c1-7-2-3-9(12)8(10(7)13)6-17(15)11-14-4-5-16-11/h2-5H,6H2,1H3.
What are the key properties of 2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole?
2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole has a molecular weight of 257.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole is sourced from PubChem (CID 67022440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).