5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid

C12H8N2O4 — CID 136985897

IUPAC5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3ccc(O)cc23)on1
InChIInChI=1S/C12H8N2O4/c15-6-1-2-9-7(3-6)8(5-13-9)11-4-10(12(16)17)14-18-11/h1-5,13,15H,(H,16,17)
InChIKeyKWBZAICMKAOQEX-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.23
Rot. Bonds2

About 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid

5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 136985897) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID136985897
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3ccc(O)cc23)on1
InChIInChI=1S/C12H8N2O4/c15-6-1-2-9-7(3-6)8(5-13-9)11-4-10(12(16)17)14-18-11/h1-5,13,15H,(H,16,17)
InChIKeyKWBZAICMKAOQEX-UHFFFAOYSA-N
XLogP2.23
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
CID 136985855
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid
CID 59364245
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136
5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid
CID 82386599
5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117443279
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde
CID 89275643
5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117398764
3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid
CID 59364271
5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid
CID 117477202
5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117367183
5-(4-bromo-2,3-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966377
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056

Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid (CID 136985897) is 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2c[nH]c3ccc(O)cc23)on1.
What is the InChIKey of 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is KWBZAICMKAOQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-6-1-2-9-7(3-6)8(5-13-9)11-4-10(12(16)17)14-18-11/h1-5,13,15H,(H,16,17).
What are the key properties of 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid?
5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 136985897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).