2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid

C13H19N3O3 — CID 113377261

IUPAC2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C13H19N3O3/c17-12(18)11-9-19-13(14-11)16-7-5-15(6-8-16)10-3-1-2-4-10/h9-10H,1-8H2,(H,17,18)
InChIKeyKCRHOJKKGUZVPU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.44
Rot. Bonds3

About 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid

2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 113377261) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID113377261
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C13H19N3O3/c17-12(18)11-9-19-13(14-11)16-7-5-15(6-8-16)10-3-1-2-4-10/h9-10H,1-8H2,(H,17,18)
InChIKeyKCRHOJKKGUZVPU-UHFFFAOYSA-N
XLogP1.44
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid (CID 113377261) is 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(N2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is KCRHOJKKGUZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12(18)11-9-19-13(14-11)16-7-5-15(6-8-16)10-3-1-2-4-10/h9-10H,1-8H2,(H,17,18).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid?
2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 113377261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).