3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

C10H8FNO3 — CID 19863021

IUPAC3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKeyTXCSUIQCEFRHID-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.40
Rot. Bonds2

About 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 19863021) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID19863021
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKeyTXCSUIQCEFRHID-UHFFFAOYSA-N
XLogP1.40
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zenuzolac
CID 10798271
3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 2981857
3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid
CID 649545
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-Benzyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 102568581

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 19863021) is 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is TXCSUIQCEFRHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14).
What are the key properties of 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 19863021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).