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

C12H10FNO2S — CID 106923022

IUPAC1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Sc2nc(C)co2)c(F)c1
InChIInChI=1S/C12H10FNO2S/c1-7-6-16-12(14-7)17-11-4-3-9(8(2)15)5-10(11)13/h3-6H,1-2H3
InChIKeyQIMSLWZSVSKCTQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.48
Rot. Bonds3

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

1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone (PubChem CID 106923022) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
PubChem CID106923022
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Sc2nc(C)co2)c(F)c1
InChIInChI=1S/C12H10FNO2S/c1-7-6-16-12(14-7)17-11-4-3-9(8(2)15)5-10(11)13/h3-6H,1-2H3
InChIKeyQIMSLWZSVSKCTQ-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

(E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 129175068
(E)-1-(4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]prop-2-en-1-one
CID 129175087
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
CID 9457338
1-(2,5-Difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 53587719
(2S)-1-(2,5-difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 95307635
(2R)-1-(2,5-difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 95307636
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone (CID 106923022) is 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone is CC(=O)c1ccc(Sc2nc(C)co2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone?
The InChIKey is QIMSLWZSVSKCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-7-6-16-12(14-7)17-11-4-3-9(8(2)15)5-10(11)13/h3-6H,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone?
1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]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-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone is sourced from PubChem (CID 106923022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).