ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate

C15H26N2O4 — CID 170720519

IUPACethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCC.CCOC(=O)c1nc(N2CC(C)(OC)C2)oc1CC
InChIInChI=1S/C13H20N2O4.C2H6/c1-5-9-10(11(16)18-6-2)14-12(19-9)15-7-13(3,8-15)17-4;1-2/h5-8H2,1-4H3;1-2H3
InChIKeyBZNYSTXLZBEJGS-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.66
Rot. Bonds5

About ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate

ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate (PubChem CID 170720519) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate
PubChem CID170720519
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCC.CCOC(=O)c1nc(N2CC(C)(OC)C2)oc1CC
InChIInChI=1S/C13H20N2O4.C2H6/c1-5-9-10(11(16)18-6-2)14-12(19-9)15-7-13(3,8-15)17-4;1-2/h5-8H2,1-4H3;1-2H3
InChIKeyBZNYSTXLZBEJGS-UHFFFAOYSA-N
XLogP2.66
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate (CID 170720519) is ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate is CC.CCOC(=O)c1nc(N2CC(C)(OC)C2)oc1CC.
What is the InChIKey of ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is BZNYSTXLZBEJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4.C2H6/c1-5-9-10(11(16)18-6-2)14-12(19-9)15-7-13(3,8-15)17-4;1-2/h5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate?
ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 170720519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).