1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol

C11H8FNO2 — CID 59068673

IUPAC1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol
SMILESC=C(O)c1ncoc1-c1ccccc1F
InChIInChI=1S/C11H8FNO2/c1-7(14)10-11(15-6-13-10)8-4-2-3-5-9(8)12/h2-6,14H,1H2
InChIKeyBEHQEFGRJODTNO-UHFFFAOYSA-N
MW205.19 g/mol
LogP3.01
Rot. Bonds2

About 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol

1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol (PubChem CID 59068673) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol
PubChem CID59068673
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol
SMILESC=C(O)c1ncoc1-c1ccccc1F
InChIInChI=1S/C11H8FNO2/c1-7(14)10-11(15-6-13-10)8-4-2-3-5-9(8)12/h2-6,14H,1H2
InChIKeyBEHQEFGRJODTNO-UHFFFAOYSA-N
XLogP3.01
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol?
The IUPAC name of 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol (CID 59068673) is 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol is C=C(O)c1ncoc1-c1ccccc1F.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol?
The InChIKey is BEHQEFGRJODTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-7(14)10-11(15-6-13-10)8-4-2-3-5-9(8)12/h2-6,14H,1H2.
What are the key properties of 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol?
1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol has a molecular weight of 205.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]ethenol is sourced from PubChem (CID 59068673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).