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

C12H10FNO2S — CID 103520252

IUPAC1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCc1coc(SCC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNO2S/c1-8-6-16-12(14-8)17-7-11(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
InChIKeyXVVZEGHYSIQXDH-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.10
Rot. Bonds4

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

1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (PubChem CID 103520252) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
PubChem CID103520252
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCc1coc(SCC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNO2S/c1-8-6-16-12(14-8)17-7-11(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
InChIKeyXVVZEGHYSIQXDH-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (CID 103520252) is 1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is Cc1coc(SCC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The InChIKey is XVVZEGHYSIQXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-8-6-16-12(14-8)17-7-11(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
1-(4-fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone has a molecular weight of 251.28 g/mol, XLogP of 3.10, 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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 103520252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).