5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid

C12H7NO4 — CID 117329817

IUPAC5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccoc3c2)on1
InChIInChI=1S/C12H7NO4/c14-12(15)9-6-11(17-13-9)8-2-1-7-3-4-16-10(7)5-8/h1-6H,(H,14,15)
InChIKeyJRZZWQMJBUOGAP-UHFFFAOYSA-N
MW229.19 g/mol
LogP2.79
Rot. Bonds2

About 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid

5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117329817) has the molecular formula C12H7NO4 and a molecular weight of 229.19 g/mol. Its IUPAC name is 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117329817
Molecular FormulaC12H7NO4
Molecular Weight229.19 g/mol
Exact Mass229.04
IUPAC Name5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccoc3c2)on1
InChIInChI=1S/C12H7NO4/c14-12(15)9-6-11(17-13-9)8-2-1-7-3-4-16-10(7)5-8/h1-6H,(H,14,15)
InChIKeyJRZZWQMJBUOGAP-UHFFFAOYSA-N
XLogP2.79
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117331927
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
CID 155392679
5-(1-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117329819
5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid
CID 115003560
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
5-[3-(triazol-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393454
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111141
5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117369563

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid (CID 117329817) is 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc3ccoc3c2)on1.
What is the InChIKey of 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is JRZZWQMJBUOGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO4/c14-12(15)9-6-11(17-13-9)8-2-1-7-3-4-16-10(7)5-8/h1-6H,(H,14,15).
What are the key properties of 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid?
5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 229.19 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117329817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).