5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one

C10H8FNO3 — CID 54232694

IUPAC5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one
SMILESCc1ccc(F)cc1-c1oc(=O)[nH]c1O
InChIInChI=1S/C10H8FNO3/c1-5-2-3-6(11)4-7(5)8-9(13)12-10(14)15-8/h2-4,13H,1H3,(H,12,14)
InChIKeyQKJSPPLEIYPTCQ-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.79
Rot. Bonds1

About 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one

5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one (PubChem CID 54232694) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one
PubChem CID54232694
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one
SMILESCc1ccc(F)cc1-c1oc(=O)[nH]c1O
InChIInChI=1S/C10H8FNO3/c1-5-2-3-6(11)4-7(5)8-9(13)12-10(14)15-8/h2-4,13H,1H3,(H,12,14)
InChIKeyQKJSPPLEIYPTCQ-UHFFFAOYSA-N
XLogP1.79
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
The IUPAC name of 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one (CID 54232694) is 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one is Cc1ccc(F)cc1-c1oc(=O)[nH]c1O.
What is the InChIKey of 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
The InChIKey is QKJSPPLEIYPTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c1-5-2-3-6(11)4-7(5)8-9(13)12-10(14)15-8/h2-4,13H,1H3,(H,12,14).
What are the key properties of 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one has a molecular weight of 209.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one is sourced from PubChem (CID 54232694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).