ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate

C14H22N2O4 — CID 170720222

IUPACethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(CC)(OC)C2)oc1CC
InChIInChI=1S/C14H22N2O4/c1-5-10-11(12(17)19-7-3)15-13(20-10)16-8-14(6-2,9-16)18-4/h5-9H2,1-4H3
InChIKeyDBDMNDBUDHMXRY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.03
Rot. Bonds6

About ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate

ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate (PubChem CID 170720222) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate
PubChem CID170720222
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(CC)(OC)C2)oc1CC
InChIInChI=1S/C14H22N2O4/c1-5-10-11(12(17)19-7-3)15-13(20-10)16-8-14(6-2,9-16)18-4/h5-9H2,1-4H3
InChIKeyDBDMNDBUDHMXRY-UHFFFAOYSA-N
XLogP2.03
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate (CID 170720222) is ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(N2CC(CC)(OC)C2)oc1CC.
What is the InChIKey of ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is DBDMNDBUDHMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-10-11(12(17)19-7-3)15-13(20-10)16-8-14(6-2,9-16)18-4/h5-9H2,1-4H3.
What are the key properties of ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 170720222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).