5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid

C13H8FN3O3 — CID 117435249

IUPAC5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-n3cccn3)c(F)c2)on1
InChIInChI=1S/C13H8FN3O3/c14-9-6-8(12-7-10(13(18)19)16-20-12)2-3-11(9)17-5-1-4-15-17/h1-7H,(H,18,19)
InChIKeyAISXIMHNRXWIJJ-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.36
Rot. Bonds3

About 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid

5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117435249) has the molecular formula C13H8FN3O3 and a molecular weight of 273.22 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117435249
Molecular FormulaC13H8FN3O3
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-n3cccn3)c(F)c2)on1
InChIInChI=1S/C13H8FN3O3/c14-9-6-8(12-7-10(13(18)19)16-20-12)2-3-11(9)17-5-1-4-15-17/h1-7H,(H,18,19)
InChIKeyAISXIMHNRXWIJJ-UHFFFAOYSA-N
XLogP2.36
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 115003608
1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid
CID 168527856
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-[3-(triazol-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393454
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117498686
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
5-[4-(triazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393453
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
5-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117475840
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117426069

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117435249) is 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(-n3cccn3)c(F)c2)on1.
What is the InChIKey of 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is AISXIMHNRXWIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3/c14-9-6-8(12-7-10(13(18)19)16-20-12)2-3-11(9)17-5-1-4-15-17/h1-7H,(H,18,19).
What are the key properties of 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 273.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117435249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).