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

C14H15N3O4 — CID 70846090

IUPAC2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCC(Oc3ccccn3)CC2)n1
InChIInChI=1S/C14H15N3O4/c18-13(19)11-9-20-14(16-11)17-7-4-10(5-8-17)21-12-3-1-2-6-15-12/h1-3,6,9-10H,4-5,7-8H2,(H,18,19)
InChIKeyHUQJEZATTPJUEZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.82
Rot. Bonds4

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

2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 70846090) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID70846090
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCC(Oc3ccccn3)CC2)n1
InChIInChI=1S/C14H15N3O4/c18-13(19)11-9-20-14(16-11)17-7-4-10(5-8-17)21-12-3-1-2-6-15-12/h1-3,6,9-10H,4-5,7-8H2,(H,18,19)
InChIKeyHUQJEZATTPJUEZ-UHFFFAOYSA-N
XLogP1.82
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid (CID 70846090) is 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(N2CCC(Oc3ccccn3)CC2)n1.
What is the InChIKey of 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is HUQJEZATTPJUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-13(19)11-9-20-14(16-11)17-7-4-10(5-8-17)21-12-3-1-2-6-15-12/h1-3,6,9-10H,4-5,7-8H2,(H,18,19).
What are the key properties of 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70846090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).