ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate

C13H14N4O4 — CID 90291519

IUPACethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CC(Oc3ncccn3)C2)n1
InChIInChI=1S/C13H14N4O4/c1-2-19-11(18)10-8-20-13(16-10)17-6-9(7-17)21-12-14-4-3-5-15-12/h3-5,8-9H,2,6-7H2,1H3
InChIKeyJKOJZCNVFZAIMI-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.91
Rot. Bonds5

About ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate

ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate (PubChem CID 90291519) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate
PubChem CID90291519
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Nameethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CC(Oc3ncccn3)C2)n1
InChIInChI=1S/C13H14N4O4/c1-2-19-11(18)10-8-20-13(16-10)17-6-9(7-17)21-12-14-4-3-5-15-12/h3-5,8-9H,2,6-7H2,1H3
InChIKeyJKOJZCNVFZAIMI-UHFFFAOYSA-N
XLogP0.91
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate (CID 90291519) is ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CC(Oc3ncccn3)C2)n1.
What is the InChIKey of ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is JKOJZCNVFZAIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-2-19-11(18)10-8-20-13(16-10)17-6-9(7-17)21-12-14-4-3-5-15-12/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate?
ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90291519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).