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

C13H7N3O3 — CID 168876065

IUPAC5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESN#Cc1c[nH]c2ccc(-c3cc(C(=O)O)no3)cc12
InChIInChI=1S/C13H7N3O3/c14-5-8-6-15-10-2-1-7(3-9(8)10)12-4-11(13(17)18)16-19-12/h1-4,6,15H,(H,17,18)
InChIKeySTJZNQQPJWEBCZ-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.39
Rot. Bonds2

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

5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 168876065) has the molecular formula C13H7N3O3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID168876065
Molecular FormulaC13H7N3O3
Molecular Weight253.22 g/mol
Exact Mass253.05
IUPAC Name5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESN#Cc1c[nH]c2ccc(-c3cc(C(=O)O)no3)cc12
InChIInChI=1S/C13H7N3O3/c14-5-8-6-15-10-2-1-7(3-9(8)10)12-4-11(13(17)18)16-19-12/h1-4,6,15H,(H,17,18)
InChIKeySTJZNQQPJWEBCZ-UHFFFAOYSA-N
XLogP2.39
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 168876065) is 5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid is N#Cc1c[nH]c2ccc(-c3cc(C(=O)O)no3)cc12.
What is the InChIKey of 5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is STJZNQQPJWEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O3/c14-5-8-6-15-10-2-1-7(3-9(8)10)12-4-11(13(17)18)16-19-12/h1-4,6,15H,(H,17,18).
What are the key properties of 5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 168876065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).