1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

C12H9F2NO2S — CID 103520139

IUPAC1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCc1coc(SCC(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C12H9F2NO2S/c1-7-5-17-12(15-7)18-6-11(16)9-3-2-8(13)4-10(9)14/h2-5H,6H2,1H3
InChIKeyRRKXEUIYJOLKTA-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (PubChem CID 103520139) has the molecular formula C12H9F2NO2S and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
PubChem CID103520139
Molecular FormulaC12H9F2NO2S
Molecular Weight269.27 g/mol
Exact Mass269.03
IUPAC Name1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCc1coc(SCC(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C12H9F2NO2S/c1-7-5-17-12(15-7)18-6-11(16)9-3-2-8(13)4-10(9)14/h2-5H,6H2,1H3
InChIKeyRRKXEUIYJOLKTA-UHFFFAOYSA-N
XLogP3.24
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (CID 103520139) is 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is Cc1coc(SCC(=O)c2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The InChIKey is RRKXEUIYJOLKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2S/c1-7-5-17-12(15-7)18-6-11(16)9-3-2-8(13)4-10(9)14/h2-5H,6H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone has a molecular weight of 269.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 103520139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).