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

C16H13N3O3 — CID 175428943

IUPAC5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C16H13N3O3/c1-2-5-19-9-11(8-17)12-6-10(3-4-14(12)19)15-7-13(16(20)21)18-22-15/h3-4,6-7,9H,2,5H2,1H3,(H,20,21)
InChIKeyDYIMLUTUZCDPJX-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.28
Rot. Bonds4

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

5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 175428943) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID175428943
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C16H13N3O3/c1-2-5-19-9-11(8-17)12-6-10(3-4-14(12)19)15-7-13(16(20)21)18-22-15/h3-4,6-7,9H,2,5H2,1H3,(H,20,21)
InChIKeyDYIMLUTUZCDPJX-UHFFFAOYSA-N
XLogP3.28
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.28
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-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 175428943) is 5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid is CCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21.
What is the InChIKey of 5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is DYIMLUTUZCDPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-2-5-19-9-11(8-17)12-6-10(3-4-14(12)19)15-7-13(16(20)21)18-22-15/h3-4,6-7,9H,2,5H2,1H3,(H,20,21).
What are the key properties of 5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(3-cyano-1-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 3.28, 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-propylindol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 175428943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).