3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one

C12H11NO2S — CID 106923941

IUPAC3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one
SMILESO=C(CCSc1ncco1)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-11(10-4-2-1-3-5-10)6-9-16-12-13-7-8-15-12/h1-5,7-8H,6,9H2
InChIKeySQXDCLALAUOBTD-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.04
Rot. Bonds5

About 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one

3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one (PubChem CID 106923941) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one
PubChem CID106923941
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one
SMILESO=C(CCSc1ncco1)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-11(10-4-2-1-3-5-10)6-9-16-12-13-7-8-15-12/h1-5,7-8H,6,9H2
InChIKeySQXDCLALAUOBTD-UHFFFAOYSA-N
XLogP3.04
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
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-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106923010
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one (CID 106923941) is 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one is O=C(CCSc1ncco1)c1ccccc1.
What is the InChIKey of 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one?
The InChIKey is SQXDCLALAUOBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-11(10-4-2-1-3-5-10)6-9-16-12-13-7-8-15-12/h1-5,7-8H,6,9H2.
What are the key properties of 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one?
3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one has a molecular weight of 233.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-ylsulfanyl)-1-phenylpropan-1-one is sourced from PubChem (CID 106923941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).