1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one

C12H10FNO2S — CID 106923960

IUPAC1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1ncco1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c1-8(17-12-14-6-7-16-12)11(15)9-2-4-10(13)5-3-9/h2-8H,1H3
InChIKeyYMZZEDCQOSCLKC-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one

1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one (PubChem CID 106923960) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one
PubChem CID106923960
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1ncco1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c1-8(17-12-14-6-7-16-12)11(15)9-2-4-10(13)5-3-9/h2-8H,1H3
InChIKeyYMZZEDCQOSCLKC-UHFFFAOYSA-N
XLogP3.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
CID 67022440
2-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,6-Difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
CID 67022564
2-[(2,5-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022566
2-[(2,6-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022683
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
(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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one (CID 106923960) is 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one is CC(Sc1ncco1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one?
The InChIKey is YMZZEDCQOSCLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-8(17-12-14-6-7-16-12)11(15)9-2-4-10(13)5-3-9/h2-8H,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one?
1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one has a molecular weight of 251.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-one is sourced from PubChem (CID 106923960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).