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

C10H7F2NO3S — CID 67022707

IUPAC2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole
SMILESO=S(=O)(Cc1c(F)cccc1F)c1ncco1
InChIInChI=1S/C10H7F2NO3S/c11-8-2-1-3-9(12)7(8)6-17(14,15)10-13-4-5-16-10/h1-5H,6H2
InChIKeyIDZRZNPPKGYNRY-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.93
Rot. Bonds3

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

2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole (PubChem CID 67022707) has the molecular formula C10H7F2NO3S and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole
PubChem CID67022707
Molecular FormulaC10H7F2NO3S
Molecular Weight259.23 g/mol
Exact Mass259.01
IUPAC Name2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole
SMILESO=S(=O)(Cc1c(F)cccc1F)c1ncco1
InChIInChI=1S/C10H7F2NO3S/c11-8-2-1-3-9(12)7(8)6-17(14,15)10-13-4-5-16-10/h1-5H,6H2
InChIKeyIDZRZNPPKGYNRY-UHFFFAOYSA-N
XLogP1.93
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole?
The IUPAC name of 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole (CID 67022707) is 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole?
The canonical SMILES for 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole is O=S(=O)(Cc1c(F)cccc1F)c1ncco1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole?
The InChIKey is IDZRZNPPKGYNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3S/c11-8-2-1-3-9(12)7(8)6-17(14,15)10-13-4-5-16-10/h1-5H,6H2.
What are the key properties of 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole?
2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole has a molecular weight of 259.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methylsulfonyl]-1,3-oxazole is sourced from PubChem (CID 67022707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).