2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid

C14H19N3O4 — CID 42883278

IUPAC2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C14H19N3O4/c18-12(10-3-1-2-4-10)16-5-7-17(8-6-16)14-15-11(9-21-14)13(19)20/h9-10H,1-8H2,(H,19,20)
InChIKeyVVGDELYJWBVLLY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.21
Rot. Bonds3

About 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 42883278) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID42883278
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C14H19N3O4/c18-12(10-3-1-2-4-10)16-5-7-17(8-6-16)14-15-11(9-21-14)13(19)20/h9-10H,1-8H2,(H,19,20)
InChIKeyVVGDELYJWBVLLY-UHFFFAOYSA-N
XLogP1.21
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid (CID 42883278) is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(N2CCN(C(=O)C3CCCC3)CC2)n1.
What is the InChIKey of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is VVGDELYJWBVLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12(10-3-1-2-4-10)16-5-7-17(8-6-16)14-15-11(9-21-14)13(19)20/h9-10H,1-8H2,(H,19,20).
What are the key properties of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid?
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 42883278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).