3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole

C14H23N3O2 — CID 116741349

IUPAC3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(CC3CCNC3)n2)CCCC1
InChIInChI=1S/C14H23N3O2/c1-2-18-14(6-3-4-7-14)13-16-12(19-17-13)9-11-5-8-15-10-11/h11,15H,2-10H2,1H3
InChIKeyJXDZCGACZZVXAG-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.03
Rot. Bonds5

About 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole

3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 116741349) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID116741349
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(CC3CCNC3)n2)CCCC1
InChIInChI=1S/C14H23N3O2/c1-2-18-14(6-3-4-7-14)13-16-12(19-17-13)9-11-5-8-15-10-11/h11,15H,2-10H2,1H3
InChIKeyJXDZCGACZZVXAG-UHFFFAOYSA-N
XLogP2.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxycyclopentyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116741386
3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116742254
5-(azetidin-3-ylmethyl)-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 116742954
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 80691095
5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742701
2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 116743116
5-(azetidin-3-ylmethyl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742421
3-(1-ethoxycycloheptyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900902
3-(1-ethoxycyclopentyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116741549
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781658
3-(1-ethoxycyclopentyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116741484

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole (CID 116741349) is 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole is CCOC1(c2noc(CC3CCNC3)n2)CCCC1.
What is the InChIKey of 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is JXDZCGACZZVXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-18-14(6-3-4-7-14)13-16-12(19-17-13)9-11-5-8-15-10-11/h11,15H,2-10H2,1H3.
What are the key properties of 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole?
3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116741349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).