5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid

C17H15N3O3 — CID 175428969

IUPAC5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C17H15N3O3/c1-10(2)8-20-9-12(7-18)13-5-11(3-4-15(13)20)16-6-14(17(21)22)19-23-16/h3-6,9-10H,8H2,1-2H3,(H,21,22)
InChIKeyUEBCUCAXPFRSMC-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.52
Rot. Bonds4

About 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid

5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid (PubChem CID 175428969) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid
PubChem CID175428969
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C17H15N3O3/c1-10(2)8-20-9-12(7-18)13-5-11(3-4-15(13)20)16-6-14(17(21)22)19-23-16/h3-6,9-10H,8H2,1-2H3,(H,21,22)
InChIKeyUEBCUCAXPFRSMC-UHFFFAOYSA-N
XLogP3.52
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid (CID 175428969) is 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid is CC(C)Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21.
What is the InChIKey of 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UEBCUCAXPFRSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10(2)8-20-9-12(7-18)13-5-11(3-4-15(13)20)16-6-14(17(21)22)19-23-16/h3-6,9-10H,8H2,1-2H3,(H,21,22).
What are the key properties of 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid?
5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyano-1-(2-methylpropyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 175428969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).