[2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol

C10H8FNO3 — CID 45157027

IUPAC[2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(Oc2cccc(F)c2)n1
InChIInChI=1S/C10H8FNO3/c11-7-2-1-3-9(4-7)15-10-12-8(5-13)6-14-10/h1-4,6,13H,5H2
InChIKeyGTGVBENDSRFWFG-UHFFFAOYSA-N
MW209.18 g/mol
LogP2.10
Rot. Bonds3

About [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol

[2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol (PubChem CID 45157027) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol
PubChem CID45157027
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name[2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(Oc2cccc(F)c2)n1
InChIInChI=1S/C10H8FNO3/c11-7-2-1-3-9(4-7)15-10-12-8(5-13)6-14-10/h1-4,6,13H,5H2
InChIKeyGTGVBENDSRFWFG-UHFFFAOYSA-N
XLogP2.10
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol (CID 45157027) is [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol is OCc1coc(Oc2cccc(F)c2)n1.
What is the InChIKey of [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol?
The InChIKey is GTGVBENDSRFWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-2-1-3-9(4-7)15-10-12-8(5-13)6-14-10/h1-4,6,13H,5H2.
What are the key properties of [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol?
[2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol has a molecular weight of 209.18 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 45157027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).