5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid

C10H6INO4 — CID 155392679

IUPAC5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(I)c(O)c2)on1
InChIInChI=1S/C10H6INO4/c11-6-2-1-5(3-8(6)13)9-4-7(10(14)15)12-16-9/h1-4,13H,(H,14,15)
InChIKeyIWUSAJVPVJOEHD-UHFFFAOYSA-N
MW331.07 g/mol
LogP2.35
Rot. Bonds2

About 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid

5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 155392679) has the molecular formula C10H6INO4 and a molecular weight of 331.07 g/mol. Its IUPAC name is 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID155392679
Molecular FormulaC10H6INO4
Molecular Weight331.07 g/mol
Exact Mass330.93
IUPAC Name5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(I)c(O)c2)on1
InChIInChI=1S/C10H6INO4/c11-6-2-1-5(3-8(6)13)9-4-7(10(14)15)12-16-9/h1-4,13H,(H,14,15)
InChIKeyIWUSAJVPVJOEHD-UHFFFAOYSA-N
XLogP2.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.07
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117375249
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117329817
5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117331927
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117369563
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117385107
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid (CID 155392679) is 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(I)c(O)c2)on1.
What is the InChIKey of 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is IWUSAJVPVJOEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6INO4/c11-6-2-1-5(3-8(6)13)9-4-7(10(14)15)12-16-9/h1-4,13H,(H,14,15).
What are the key properties of 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 331.07 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 155392679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).