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

C15H24N2O3 — CID 170720303

IUPACethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(CC)(CC)C2)oc1CC
InChIInChI=1S/C15H24N2O3/c1-5-11-12(13(18)19-8-4)16-14(20-11)17-9-15(6-2,7-3)10-17/h5-10H2,1-4H3
InChIKeyLMZOWAFRLIDVIL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.04
Rot. Bonds6

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

ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate (PubChem CID 170720303) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate
PubChem CID170720303
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(CC)(CC)C2)oc1CC
InChIInChI=1S/C15H24N2O3/c1-5-11-12(13(18)19-8-4)16-14(20-11)17-9-15(6-2,7-3)10-17/h5-10H2,1-4H3
InChIKeyLMZOWAFRLIDVIL-UHFFFAOYSA-N
XLogP3.04
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate (CID 170720303) is ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(N2CC(CC)(CC)C2)oc1CC.
What is the InChIKey of ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate?
The InChIKey is LMZOWAFRLIDVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-11-12(13(18)19-8-4)16-14(20-11)17-9-15(6-2,7-3)10-17/h5-10H2,1-4H3.
What are the key properties of ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate?
ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 170720303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).