1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone

C11H8FNO2 — CID 22831982

IUPAC1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C11H8FNO2/c1-7(14)10-6-11(15-13-10)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyBIYBDUDVLCUYCI-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.68
Rot. Bonds2

About 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone

1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 22831982) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
PubChem CID22831982
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C11H8FNO2/c1-7(14)10-6-11(15-13-10)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyBIYBDUDVLCUYCI-UHFFFAOYSA-N
XLogP2.68
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone (CID 22831982) is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone is CC(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is BIYBDUDVLCUYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-7(14)10-6-11(15-13-10)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 205.19 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 22831982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).