3-(2-fluorophenyl)-4H-1,2-oxazol-5-one

C9H6FNO2 — CID 55276379

IUPAC3-(2-fluorophenyl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C9H6FNO2/c10-7-4-2-1-3-6(7)8-5-9(12)13-11-8/h1-4H,5H2
InChIKeyYHLOFFMGJJNRIC-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.48
Rot. Bonds1

About 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one

3-(2-fluorophenyl)-4H-1,2-oxazol-5-one (PubChem CID 55276379) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4H-1,2-oxazol-5-one
PubChem CID55276379
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name3-(2-fluorophenyl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C9H6FNO2/c10-7-4-2-1-3-6(7)8-5-9(12)13-11-8/h1-4H,5H2
InChIKeyYHLOFFMGJJNRIC-UHFFFAOYSA-N
XLogP1.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)-1,4-dihydropyrazol-5-one
CID 43831427
(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966214
5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544919
(3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one
CID 25171093
3-(2-fluorophenyl)-6-methyl-4,5-dihydropyridazine
CID 130252003
5-(2-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
CID 24902248
(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687
3-(2-fluorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869151
1,4-bis(2-fluorophenyl)benzene
CID 58121760
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CID 10511186

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one (CID 55276379) is 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one is O=C1CC(c2ccccc2F)=NO1.
What is the InChIKey of 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one?
The InChIKey is YHLOFFMGJJNRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-7-4-2-1-3-6(7)8-5-9(12)13-11-8/h1-4H,5H2.
What are the key properties of 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one?
3-(2-fluorophenyl)-4H-1,2-oxazol-5-one has a molecular weight of 179.15 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 55276379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).