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

C14H22N2O3 — CID 170720440

IUPACethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(CC)(CC)C2)oc1C
InChIInChI=1S/C14H22N2O3/c1-5-14(6-2)8-16(9-14)13-15-11(10(4)19-13)12(17)18-7-3/h5-9H2,1-4H3
InChIKeyDTHFZKSFSJPIGT-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.79
Rot. Bonds5

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

ethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 170720440) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID170720440
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(CC)(CC)C2)oc1C
InChIInChI=1S/C14H22N2O3/c1-5-14(6-2)8-16(9-14)13-15-11(10(4)19-13)12(17)18-7-3/h5-9H2,1-4H3
InChIKeyDTHFZKSFSJPIGT-UHFFFAOYSA-N
XLogP2.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.79
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-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate (CID 170720440) is ethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(N2CC(CC)(CC)C2)oc1C.
What is the InChIKey of ethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is DTHFZKSFSJPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-14(6-2)8-16(9-14)13-15-11(10(4)19-13)12(17)18-7-3/h5-9H2,1-4H3.
What are the key properties of ethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate?
ethyl 2-(3,3-diethylazetidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.79, 5 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-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 170720440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).