3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid

C10H8FNO3 — CID 649545

IUPAC3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESC1C(ON=C1C2=CC=CC=C2F)C(=O)O
InChIInChI=1S/C10H8FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKeyDAYPQGQLFQVFPV-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.50
Rot. Bonds2

About 3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid

3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid (PubChem CID 649545) has the molecular formula C10H8FNO3 and a molecular weight of 209.17 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid
PubChem CID649545
Molecular FormulaC10H8FNO3
Molecular Weight209.17 g/mol
Exact Mass209.05
IUPAC Name3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESC1C(ON=C1C2=CC=CC=C2F)C(=O)O
InChIInChI=1S/C10H8FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKeyDAYPQGQLFQVFPV-UHFFFAOYSA-N
XLogP1.50
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity292

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zenuzolac
CID 10798271
3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 2981857
3-Phenyl-4,5-dihydroisoxazole-5-carboxylic acid
CID 555517
3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 2962252
(4Z)-4-[4-[(E)-1-(4-fluorophenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46229787
2-(Hydroxyimino)-3-(4-flurophenyl)propanoic acid
CID 127046270
5-Isoxazolecarboxylic acid, 4,5-dihydro-3-phenyl-, methyl ester
CID 10774602
3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-one
CID 53425269
5-Methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 3089571
3-(2-Chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 2962193
3-(3-Fluorophenyl)-4,5-dihydro-5-isoxazolecarboxylic acid
CID 19863021
3-Benzyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 102568581

Frequently Asked Questions

What is the IUPAC name of 3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid?
The IUPAC name of 3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid (CID 649545) is 3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid is C1C(ON=C1C2=CC=CC=C2F)C(=O)O.
What is the InChIKey of 3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid?
The InChIKey is DAYPQGQLFQVFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14).
What are the key properties of 3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid?
3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid has a molecular weight of 209.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid is sourced from PubChem (CID 649545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).