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

C16H13N3O3 — CID 172638494

IUPAC5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)n1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C16H13N3O3/c1-9(2)19-8-11(7-17)12-5-10(3-4-14(12)19)15-6-13(16(20)21)18-22-15/h3-6,8-9H,1-2H3,(H,20,21)
InChIKeyQGDXRFMUFQUIQB-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.45
Rot. Bonds3

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

5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 172638494) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID172638494
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)n1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C16H13N3O3/c1-9(2)19-8-11(7-17)12-5-10(3-4-14(12)19)15-6-13(16(20)21)18-22-15/h3-6,8-9H,1-2H3,(H,20,21)
InChIKeyQGDXRFMUFQUIQB-UHFFFAOYSA-N
XLogP3.45
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.45
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-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 172638494) is 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid is CC(C)n1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21.
What is the InChIKey of 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is QGDXRFMUFQUIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-9(2)19-8-11(7-17)12-5-10(3-4-14(12)19)15-6-13(16(20)21)18-22-15/h3-6,8-9H,1-2H3,(H,20,21).
What are the key properties of 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 3.45, 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-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 172638494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).