carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole

C13H14N4O4 — CID 160553205

IUPACcarbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole
SMILESCCc1coc(N2CC(Oc3ncccn3)C2)n1.O=C=O
InChIInChI=1S/C12H14N4O2.CO2/c1-2-9-8-17-12(15-9)16-6-10(7-16)18-11-13-4-3-5-14-11;2-1-3/h3-5,8,10H,2,6-7H2,1H3;
InChIKeyQYIOYYCBDYJPPH-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.71
Rot. Bonds4

About carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole

carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole (PubChem CID 160553205) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Namecarbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole
PubChem CID160553205
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Namecarbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole
SMILESCCc1coc(N2CC(Oc3ncccn3)C2)n1.O=C=O
InChIInChI=1S/C12H14N4O2.CO2/c1-2-9-8-17-12(15-9)16-6-10(7-16)18-11-13-4-3-5-14-11;2-1-3/h3-5,8,10H,2,6-7H2,1H3;
InChIKeyQYIOYYCBDYJPPH-UHFFFAOYSA-N
XLogP0.71
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole?
The IUPAC name of carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole (CID 160553205) is carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole.
What is the SMILES notation for carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole?
The canonical SMILES for carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole is CCc1coc(N2CC(Oc3ncccn3)C2)n1.O=C=O.
What is the InChIKey of carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole?
The InChIKey is QYIOYYCBDYJPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.CO2/c1-2-9-8-17-12(15-9)16-6-10(7-16)18-11-13-4-3-5-14-11;2-1-3/h3-5,8,10H,2,6-7H2,1H3;.
What are the key properties of carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole?
carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole has a molecular weight of 290.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-ethyl-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 160553205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).