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

C11H10N4O4 — CID 70955037

IUPAC2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CC(Oc3ncccn3)C2)n1
InChIInChI=1S/C11H10N4O4/c16-9(17)8-6-18-11(14-8)15-4-7(5-15)19-10-12-2-1-3-13-10/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyGJZKFVJZWMNJEL-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.43
Rot. Bonds4

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

2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 70955037) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID70955037
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CC(Oc3ncccn3)C2)n1
InChIInChI=1S/C11H10N4O4/c16-9(17)8-6-18-11(14-8)15-4-7(5-15)19-10-12-2-1-3-13-10/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyGJZKFVJZWMNJEL-UHFFFAOYSA-N
XLogP0.43
TPSA101.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid (CID 70955037) is 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(N2CC(Oc3ncccn3)C2)n1.
What is the InChIKey of 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is GJZKFVJZWMNJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c16-9(17)8-6-18-11(14-8)15-4-7(5-15)19-10-12-2-1-3-13-10/h1-3,6-7H,4-5H2,(H,16,17).
What are the key properties of 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid?
2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70955037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).