5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole

C14H21N3O2 — CID 83070366

IUPAC5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CC4CCC3O4)no2)CCCN1
InChIInChI=1S/C14H21N3O2/c1-2-14(6-3-7-15-14)13-16-12(17-19-13)10-8-9-4-5-11(10)18-9/h9-11,15H,2-8H2,1H3
InChIKeyBYQXPWPLVXSSLT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds3

About 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole

5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole (PubChem CID 83070366) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
PubChem CID83070366
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CC4CCC3O4)no2)CCCN1
InChIInChI=1S/C14H21N3O2/c1-2-14(6-3-7-15-14)13-16-12(17-19-13)10-8-9-4-5-11(10)18-9/h9-11,15H,2-8H2,1H3
InChIKeyBYQXPWPLVXSSLT-UHFFFAOYSA-N
XLogP2.09
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole (CID 83070366) is 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole is CCC1(c2nc(C3CC4CCC3O4)no2)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole?
The InChIKey is BYQXPWPLVXSSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-14(6-3-7-15-14)13-16-12(17-19-13)10-8-9-4-5-11(10)18-9/h9-11,15H,2-8H2,1H3.
What are the key properties of 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole?
5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole has a molecular weight of 263.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83070366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).