3-(3-fluorophenyl)-2H-1,2-oxazol-5-one

C9H6FNO2 — CID 75359327

IUPAC3-(3-fluorophenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cccc(F)c2)[nH]o1
InChIInChI=1S/C9H6FNO2/c10-7-3-1-2-6(4-7)8-5-9(12)13-11-8/h1-5,11H
InChIKeySLQSUMCDAIWWQB-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.77
Rot. Bonds1

About 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one

3-(3-fluorophenyl)-2H-1,2-oxazol-5-one (PubChem CID 75359327) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2H-1,2-oxazol-5-one
PubChem CID75359327
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name3-(3-fluorophenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cccc(F)c2)[nH]o1
InChIInChI=1S/C9H6FNO2/c10-7-3-1-2-6(4-7)8-5-9(12)13-11-8/h1-5,11H
InChIKeySLQSUMCDAIWWQB-UHFFFAOYSA-N
XLogP1.77
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one (CID 75359327) is 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one is O=c1cc(-c2cccc(F)c2)[nH]o1.
What is the InChIKey of 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one?
The InChIKey is SLQSUMCDAIWWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-7-3-1-2-6(4-7)8-5-9(12)13-11-8/h1-5,11H.
What are the key properties of 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one?
3-(3-fluorophenyl)-2H-1,2-oxazol-5-one has a molecular weight of 179.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 75359327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).