1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

C11H7F2NO2S — CID 106923929

IUPAC1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1c(F)cccc1F
InChIInChI=1S/C11H7F2NO2S/c12-7-2-1-3-8(13)10(7)9(15)6-17-11-14-4-5-16-11/h1-5H,6H2
InChIKeyDVEPXCSMOZXNCG-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.93
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (PubChem CID 106923929) has the molecular formula C11H7F2NO2S and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
PubChem CID106923929
Molecular FormulaC11H7F2NO2S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1c(F)cccc1F
InChIInChI=1S/C11H7F2NO2S/c12-7-2-1-3-8(13)10(7)9(15)6-17-11-14-4-5-16-11/h1-5H,6H2
InChIKeyDVEPXCSMOZXNCG-UHFFFAOYSA-N
XLogP2.93
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
CID 67022440
2-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,6-Difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
CID 67022564
2-[(2,5-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022566
2-[(2,6-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022683
2-[(2,6-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022707
2-[(2,5-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022731
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
1-(2,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520139
1-(2,5-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520140
1-(2,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 103520176
1-(3,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 103520241

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (CID 106923929) is 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is O=C(CSc1ncco1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The InChIKey is DVEPXCSMOZXNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2S/c12-7-2-1-3-8(13)10(7)9(15)6-17-11-14-4-5-16-11/h1-5H,6H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone has a molecular weight of 255.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 106923929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).