4-fluoro-2-(1,2-oxazol-5-yl)phenol

C9H6FNO2 — CID 2758985

IUPAC4-fluoro-2-(1,2-oxazol-5-yl)phenol
SMILESOc1ccc(F)cc1-c1ccno1
InChIInChI=1S/C9H6FNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKeyGMKVPJVBXXTBJG-UHFFFAOYSA-N
MW179.15 g/mol
LogP2.19
Rot. Bonds1

About 4-fluoro-2-(1,2-oxazol-5-yl)phenol

4-fluoro-2-(1,2-oxazol-5-yl)phenol (PubChem CID 2758985) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 4-fluoro-2-(1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(1,2-oxazol-5-yl)phenol
PubChem CID2758985
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name4-fluoro-2-(1,2-oxazol-5-yl)phenol
SMILESOc1ccc(F)cc1-c1ccno1
InChIInChI=1S/C9H6FNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKeyGMKVPJVBXXTBJG-UHFFFAOYSA-N
XLogP2.19
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,2-oxazol-5-yl)phenol?
The IUPAC name of 4-fluoro-2-(1,2-oxazol-5-yl)phenol (CID 2758985) is 4-fluoro-2-(1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(1,2-oxazol-5-yl)phenol?
The canonical SMILES for 4-fluoro-2-(1,2-oxazol-5-yl)phenol is Oc1ccc(F)cc1-c1ccno1.
What is the InChIKey of 4-fluoro-2-(1,2-oxazol-5-yl)phenol?
The InChIKey is GMKVPJVBXXTBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H.
What are the key properties of 4-fluoro-2-(1,2-oxazol-5-yl)phenol?
4-fluoro-2-(1,2-oxazol-5-yl)phenol has a molecular weight of 179.15 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 2758985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).