3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole

C15H27N3O2 — CID 116740899

IUPAC3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(CC)(CC)c1noc(C2(CC)CCNC2)n1
InChIInChI=1S/C15H27N3O2/c1-5-14(9-10-16-11-14)13-17-12(18-20-13)15(6-2,7-3)19-8-4/h16H,5-11H2,1-4H3
InChIKeyHKJVMZCDMNHLDY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds7

About 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116740899) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID116740899
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(CC)(CC)c1noc(C2(CC)CCNC2)n1
InChIInChI=1S/C15H27N3O2/c1-5-14(9-10-16-11-14)13-17-12(18-20-13)15(6-2,7-3)19-8-4/h16H,5-11H2,1-4H3
InChIKeyHKJVMZCDMNHLDY-UHFFFAOYSA-N
XLogP2.76
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 116740899) is 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCOC(CC)(CC)c1noc(C2(CC)CCNC2)n1.
What is the InChIKey of 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is HKJVMZCDMNHLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-14(9-10-16-11-14)13-17-12(18-20-13)15(6-2,7-3)19-8-4/h16H,5-11H2,1-4H3.
What are the key properties of 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 281.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116740899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).