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

C9H6FNO2 — CID 46863997

IUPAC2-(4-fluorophenyl)-1,3-oxazol-4-one
SMILESO=C1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C9H6FNO2/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4H,5H2
InChIKeyZLKLBEZLKIHXHV-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.13
Rot. Bonds1

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

2-(4-fluorophenyl)-1,3-oxazol-4-one (PubChem CID 46863997) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-oxazol-4-one
PubChem CID46863997
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name2-(4-fluorophenyl)-1,3-oxazol-4-one
SMILESO=C1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C9H6FNO2/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4H,5H2
InChIKeyZLKLBEZLKIHXHV-UHFFFAOYSA-N
XLogP1.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-oxazol-4-one?
The IUPAC name of 2-(4-fluorophenyl)-1,3-oxazol-4-one (CID 46863997) is 2-(4-fluorophenyl)-1,3-oxazol-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-oxazol-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-oxazol-4-one is O=C1COC(c2ccc(F)cc2)=N1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-oxazol-4-one?
The InChIKey is ZLKLBEZLKIHXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4H,5H2.
What are the key properties of 2-(4-fluorophenyl)-1,3-oxazol-4-one?
2-(4-fluorophenyl)-1,3-oxazol-4-one has a molecular weight of 179.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-oxazol-4-one is sourced from PubChem (CID 46863997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).