2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one

C10H8FNO2 — CID 91664746

IUPAC2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one
SMILESO=C1COC(Cc2ccc(F)cc2)=N1
InChIInChI=1S/C10H8FNO2/c11-8-3-1-7(2-4-8)5-10-12-9(13)6-14-10/h1-4H,5-6H2
InChIKeyVMYSSSDUFCCGTJ-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.32
Rot. Bonds2

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

2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one (PubChem CID 91664746) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one
PubChem CID91664746
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one
SMILESO=C1COC(Cc2ccc(F)cc2)=N1
InChIInChI=1S/C10H8FNO2/c11-8-3-1-7(2-4-8)5-10-12-9(13)6-14-10/h1-4H,5-6H2
InChIKeyVMYSSSDUFCCGTJ-UHFFFAOYSA-N
XLogP1.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one (CID 91664746) is 2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one is O=C1COC(Cc2ccc(F)cc2)=N1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one?
The InChIKey is VMYSSSDUFCCGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-8-3-1-7(2-4-8)5-10-12-9(13)6-14-10/h1-4H,5-6H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one?
2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one has a molecular weight of 193.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one is sourced from PubChem (CID 91664746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).