3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole

C15H25N3O2 — CID 116741448

IUPAC3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3(C)CCCCN3)n2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-3-19-15(9-4-5-10-15)12-17-13(20-18-12)14(2)8-6-7-11-16-14/h16H,3-11H2,1-2H3
InChIKeySQEJRZUPTVCDNB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.86
Rot. Bonds4

About 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 116741448) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID116741448
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3(C)CCCCN3)n2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-3-19-15(9-4-5-10-15)12-17-13(20-18-12)14(2)8-6-7-11-16-14/h16H,3-11H2,1-2H3
InChIKeySQEJRZUPTVCDNB-UHFFFAOYSA-N
XLogP2.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 116741448) is 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is CCOC1(c2noc(C3(C)CCCCN3)n2)CCCC1.
What is the InChIKey of 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is SQEJRZUPTVCDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-19-15(9-4-5-10-15)12-17-13(20-18-12)14(2)8-6-7-11-16-14/h16H,3-11H2,1-2H3.
What are the key properties of 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 279.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116741448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).