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

C15H11N3O3 — CID 175428980

IUPAC5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C15H11N3O3/c1-2-18-8-10(7-16)11-5-9(3-4-13(11)18)14-6-12(15(19)20)17-21-14/h3-6,8H,2H2,1H3,(H,19,20)
InChIKeyARRKBFHDLUZYPT-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.89
Rot. Bonds3

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

5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 175428980) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID175428980
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C15H11N3O3/c1-2-18-8-10(7-16)11-5-9(3-4-13(11)18)14-6-12(15(19)20)17-21-14/h3-6,8H,2H2,1H3,(H,19,20)
InChIKeyARRKBFHDLUZYPT-UHFFFAOYSA-N
XLogP2.89
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 175428980) is 5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid is CCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21.
What is the InChIKey of 5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ARRKBFHDLUZYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-2-18-8-10(7-16)11-5-9(3-4-13(11)18)14-6-12(15(19)20)17-21-14/h3-6,8H,2H2,1H3,(H,19,20).
What are the key properties of 5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-1-ethylindol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 175428980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).