2-(fluoromethyl)-1,3-oxazol-4-ol

C4H4FNO2 — CID 84762088

IUPAC2-(fluoromethyl)-1,3-oxazol-4-ol
SMILESOc1coc(CF)n1
InChIInChI=1S/C4H4FNO2/c5-1-4-6-3(7)2-8-4/h2,7H,1H2
InChIKeyAVHPZKSFRVAJMY-UHFFFAOYSA-N
MW117.08 g/mol
LogP0.85
Rot. Bonds1

About 2-(fluoromethyl)-1,3-oxazol-4-ol

2-(fluoromethyl)-1,3-oxazol-4-ol (PubChem CID 84762088) has the molecular formula C4H4FNO2 and a molecular weight of 117.08 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3-oxazol-4-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3-oxazol-4-ol
PubChem CID84762088
Molecular FormulaC4H4FNO2
Molecular Weight117.08 g/mol
Exact Mass117.02
IUPAC Name2-(fluoromethyl)-1,3-oxazol-4-ol
SMILESOc1coc(CF)n1
InChIInChI=1S/C4H4FNO2/c5-1-4-6-3(7)2-8-4/h2,7H,1H2
InChIKeyAVHPZKSFRVAJMY-UHFFFAOYSA-N
XLogP0.85
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.08
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,3-oxazol-4-ol?
The IUPAC name of 2-(fluoromethyl)-1,3-oxazol-4-ol (CID 84762088) is 2-(fluoromethyl)-1,3-oxazol-4-ol.
What is the SMILES notation for 2-(fluoromethyl)-1,3-oxazol-4-ol?
The canonical SMILES for 2-(fluoromethyl)-1,3-oxazol-4-ol is Oc1coc(CF)n1.
What is the InChIKey of 2-(fluoromethyl)-1,3-oxazol-4-ol?
The InChIKey is AVHPZKSFRVAJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO2/c5-1-4-6-3(7)2-8-4/h2,7H,1H2.
What are the key properties of 2-(fluoromethyl)-1,3-oxazol-4-ol?
2-(fluoromethyl)-1,3-oxazol-4-ol has a molecular weight of 117.08 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,3-oxazol-4-ol is sourced from PubChem (CID 84762088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).