[2-(fluoromethyl)-1,3-oxazol-4-yl] acetate

C6H6FNO3 — CID 174658936

IUPAC[2-(fluoromethyl)-1,3-oxazol-4-yl] acetate
SMILESCC(=O)Oc1coc(CF)n1
InChIInChI=1S/C6H6FNO3/c1-4(9)11-6-3-10-5(2-7)8-6/h3H,2H2,1H3
InChIKeyKCJOVQVMDJQROP-UHFFFAOYSA-N
MW159.12 g/mol
LogP1.07
Rot. Bonds2

About [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate

[2-(fluoromethyl)-1,3-oxazol-4-yl] acetate (PubChem CID 174658936) has the molecular formula C6H6FNO3 and a molecular weight of 159.12 g/mol. Its IUPAC name is [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate.

Molecular Properties

Compound Name[2-(fluoromethyl)-1,3-oxazol-4-yl] acetate
PubChem CID174658936
Molecular FormulaC6H6FNO3
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Name[2-(fluoromethyl)-1,3-oxazol-4-yl] acetate
SMILESCC(=O)Oc1coc(CF)n1
InChIInChI=1S/C6H6FNO3/c1-4(9)11-6-3-10-5(2-7)8-6/h3H,2H2,1H3
InChIKeyKCJOVQVMDJQROP-UHFFFAOYSA-N
XLogP1.07
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate?
The IUPAC name of [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate (CID 174658936) is [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate.
What is the SMILES notation for [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate?
The canonical SMILES for [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate is CC(=O)Oc1coc(CF)n1.
What is the InChIKey of [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate?
The InChIKey is KCJOVQVMDJQROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3/c1-4(9)11-6-3-10-5(2-7)8-6/h3H,2H2,1H3.
What are the key properties of [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate?
[2-(fluoromethyl)-1,3-oxazol-4-yl] acetate has a molecular weight of 159.12 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)-1,3-oxazol-4-yl] acetate is sourced from PubChem (CID 174658936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).