5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid

C12H8N2O4 — CID 136986177

IUPAC5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1c[nH]c2c(O)cccc12
InChIInChI=1S/C12H8N2O4/c15-9-3-1-2-6-7(4-13-10(6)9)11-8(12(16)17)5-14-18-11/h1-5,13,15H,(H,16,17)
InChIKeyWBELJDXDMBRJKY-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.23
Rot. Bonds2

About 5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid

5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 136986177) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID136986177
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1c[nH]c2c(O)cccc12
InChIInChI=1S/C12H8N2O4/c15-9-3-1-2-6-7(4-13-10(6)9)11-8(12(16)17)5-14-18-11/h1-5,13,15H,(H,16,17)
InChIKeyWBELJDXDMBRJKY-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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Frequently Asked Questions

What is the IUPAC name of 5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (CID 136986177) is 5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1-c1c[nH]c2c(O)cccc12.
What is the InChIKey of 5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is WBELJDXDMBRJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-9-3-1-2-6-7(4-13-10(6)9)11-8(12(16)17)5-14-18-11/h1-5,13,15H,(H,16,17).
What are the key properties of 5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-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-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 136986177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).