1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone

C11H8FNO2S — CID 106923001

IUPAC1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Sc1ncco1
InChIInChI=1S/C11H8FNO2S/c1-7(14)9-6-8(12)2-3-10(9)16-11-13-4-5-15-11/h2-6H,1H3
InChIKeyFGMDPCSRTKFQCG-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.17
Rot. Bonds3

About 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone

1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone (PubChem CID 106923001) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
PubChem CID106923001
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Sc1ncco1
InChIInChI=1S/C11H8FNO2S/c1-7(14)9-6-8(12)2-3-10(9)16-11-13-4-5-15-11/h2-6H,1H3
InChIKeyFGMDPCSRTKFQCG-UHFFFAOYSA-N
XLogP3.17
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106898488
3-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921109
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106922373
1-[3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106922996
1-[2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106923007
1-[5-Fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106923010
1-[3-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923022
1-[5-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923027
1-[2-Fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923033
1-(4-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923916
1-(2,4-Difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one
CID 106923918
1-(4-Fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one
CID 106923921

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone (CID 106923001) is 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone is CC(=O)c1cc(F)ccc1Sc1ncco1.
What is the InChIKey of 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The InChIKey is FGMDPCSRTKFQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-7(14)9-6-8(12)2-3-10(9)16-11-13-4-5-15-11/h2-6H,1H3.
What are the key properties of 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone has a molecular weight of 237.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 106923001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).