1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone

C12H10FNO2S — CID 106923010

IUPAC1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(C)cc1Sc1ncco1
InChIInChI=1S/C12H10FNO2S/c1-7-5-11(17-12-14-3-4-16-12)9(8(2)15)6-10(7)13/h3-6H,1-2H3
InChIKeyAZYWETFLUUWLBR-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.48
Rot. Bonds3

About 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone

1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone (PubChem CID 106923010) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
PubChem CID106923010
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(C)cc1Sc1ncco1
InChIInChI=1S/C12H10FNO2S/c1-7-5-11(17-12-14-3-4-16-12)9(8(2)15)6-10(7)13/h3-6H,1-2H3
InChIKeyAZYWETFLUUWLBR-UHFFFAOYSA-N
XLogP3.48
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106922996
1-[5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106923001
1-[2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106923007
1-[5-Fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923036
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
1-(3-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923923
1-(2,6-Difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923929
1-(2-Fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-2-one
CID 106923945
1-(4-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one
CID 106923960
1-(3,4-Difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one
CID 106923965

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone (CID 106923010) is 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone is CC(=O)c1cc(F)c(C)cc1Sc1ncco1.
What is the InChIKey of 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The InChIKey is AZYWETFLUUWLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-7-5-11(17-12-14-3-4-16-12)9(8(2)15)6-10(7)13/h3-6H,1-2H3.
What are the key properties of 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone has a molecular weight of 251.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 106923010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).