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

C12H10FNO2S — CID 106923992

IUPAC1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one
SMILESO=C(CCSc1ncco1)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c13-10-3-1-9(2-4-10)11(15)5-8-17-12-14-6-7-16-12/h1-4,6-7H,5,8H2
InChIKeyFALCFTJIGIQUBI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.18
Rot. Bonds5

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

1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one (PubChem CID 106923992) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one
PubChem CID106923992
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one
SMILESO=C(CCSc1ncco1)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c13-10-3-1-9(2-4-10)11(15)5-8-17-12-14-6-7-16-12/h1-4,6-7H,5,8H2
InChIKeyFALCFTJIGIQUBI-UHFFFAOYSA-N
XLogP3.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one (CID 106923992) is 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one is O=C(CCSc1ncco1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one?
The InChIKey is FALCFTJIGIQUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-10-3-1-9(2-4-10)11(15)5-8-17-12-14-6-7-16-12/h1-4,6-7H,5,8H2.
What are the key properties of 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one?
1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one has a molecular weight of 251.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one is sourced from PubChem (CID 106923992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).