1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone

C13H12FNO2S — CID 106923057

IUPAC1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C13H12FNO2S/c1-7-9(3)17-13(15-7)18-11-6-4-5-10(14)12(11)8(2)16/h4-6H,1-3H3
InChIKeyNWKLWBGZVGLGSP-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.78
Rot. Bonds3

About 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone

1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone (PubChem CID 106923057) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone
PubChem CID106923057
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C13H12FNO2S/c1-7-9(3)17-13(15-7)18-11-6-4-5-10(14)12(11)8(2)16/h4-6H,1-3H3
InChIKeyNWKLWBGZVGLGSP-UHFFFAOYSA-N
XLogP3.78
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone (CID 106923057) is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1Sc1nc(C)c(C)o1.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone?
The InChIKey is NWKLWBGZVGLGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-7-9(3)17-13(15-7)18-11-6-4-5-10(14)12(11)8(2)16/h4-6H,1-3H3.
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone?
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone is sourced from PubChem (CID 106923057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).