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

C13H8FN3O3 — CID 117435246

IUPAC3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-n3ccnc3)c(F)c2)no1
InChIInChI=1S/C13H8FN3O3/c14-9-5-8(10-6-12(13(18)19)20-16-10)1-2-11(9)17-4-3-15-7-17/h1-7H,(H,18,19)
InChIKeyRENIGMBXHUUHKW-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.36
Rot. Bonds3

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

3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117435246) has the molecular formula C13H8FN3O3 and a molecular weight of 273.22 g/mol. Its IUPAC name is 3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117435246
Molecular FormulaC13H8FN3O3
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-n3ccnc3)c(F)c2)no1
InChIInChI=1S/C13H8FN3O3/c14-9-5-8(10-6-12(13(18)19)20-16-10)1-2-11(9)17-4-3-15-7-17/h1-7H,(H,18,19)
InChIKeyRENIGMBXHUUHKW-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117435246) is 3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(-n3ccnc3)c(F)c2)no1.
What is the InChIKey of 3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is RENIGMBXHUUHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3/c14-9-5-8(10-6-12(13(18)19)20-16-10)1-2-11(9)17-4-3-15-7-17/h1-7H,(H,18,19).
What are the key properties of 3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-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 3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117435246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).