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

C13H12FNO2S — CID 106923036

IUPAC1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
SMILESCC(=O)c1cc(F)c(C)cc1Sc1nc(C)co1
InChIInChI=1S/C13H12FNO2S/c1-7-4-12(10(9(3)16)5-11(7)14)18-13-15-8(2)6-17-13/h4-6H,1-3H3
InChIKeyRUVRVSCWZPAIBX-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.78
Rot. Bonds3

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

1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone (PubChem CID 106923036) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
PubChem CID106923036
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
SMILESCC(=O)c1cc(F)c(C)cc1Sc1nc(C)co1
InChIInChI=1S/C13H12FNO2S/c1-7-4-12(10(9(3)16)5-11(7)14)18-13-15-8(2)6-17-13/h4-6H,1-3H3
InChIKeyRUVRVSCWZPAIBX-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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Related Compounds

(E)-1-(4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]prop-2-en-1-one
CID 129175087
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-(2-Fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520225
1-(3,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 103520241
1-(4-Fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520252
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-[2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]ethanone
CID 106923057

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone (CID 106923036) is 1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone is CC(=O)c1cc(F)c(C)cc1Sc1nc(C)co1.
What is the InChIKey of 1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone?
The InChIKey is RUVRVSCWZPAIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-7-4-12(10(9(3)16)5-11(7)14)18-13-15-8(2)6-17-13/h4-6H,1-3H3.
What are the key properties of 1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone?
1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]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-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone is sourced from PubChem (CID 106923036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).