ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate

C13H19N3O3 — CID 116808530

IUPACethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(N3CCCC3)no2)CCC1
InChIInChI=1S/C13H19N3O3/c1-2-18-11(17)13(6-5-7-13)10-14-12(15-19-10)16-8-3-4-9-16/h2-9H2,1H3
InChIKeyKJPJWSJOMSVFCP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.65
Rot. Bonds4

About ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate

ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate (PubChem CID 116808530) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
PubChem CID116808530
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(N3CCCC3)no2)CCC1
InChIInChI=1S/C13H19N3O3/c1-2-18-11(17)13(6-5-7-13)10-14-12(15-19-10)16-8-3-4-9-16/h2-9H2,1H3
InChIKeyKJPJWSJOMSVFCP-UHFFFAOYSA-N
XLogP1.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate (CID 116808530) is ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate is CCOC(=O)C1(c2nc(N3CCCC3)no2)CCC1.
What is the InChIKey of ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate?
The InChIKey is KJPJWSJOMSVFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-18-11(17)13(6-5-7-13)10-14-12(15-19-10)16-8-3-4-9-16/h2-9H2,1H3.
What are the key properties of ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate?
ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 116808530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).