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

C10H8FNO3 — CID 2981857

IUPAC3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKeyPBZBMHSUDXPYCP-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.40
Rot. Bonds2

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

3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 2981857) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID2981857
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKeyPBZBMHSUDXPYCP-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 2981857) is 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is PBZBMHSUDXPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14).
What are the key properties of 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(4-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-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 2981857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).