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

C15H25N3O2 — CID 107071052

IUPAC3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3NCCCC3C)n2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-3-19-15(8-4-5-9-15)14-17-13(20-18-14)12-11(2)7-6-10-16-12/h11-12,16H,3-10H2,1-2H3
InChIKeySPQGISBNHRHNSO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.94
Rot. Bonds4

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

3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 107071052) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID107071052
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3NCCCC3C)n2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-3-19-15(8-4-5-9-15)14-17-13(20-18-14)12-11(2)7-6-10-16-12/h11-12,16H,3-10H2,1-2H3
InChIKeySPQGISBNHRHNSO-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781193
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
3-(1-ethoxycycloheptyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915192
3-(1-ethoxycyclohexyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915174
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
3-(1-ethoxy-4-methylcyclohexyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116742659
2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116741436
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780291
3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742913
3-(4-ethoxyoxan-4-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912084
3-(1-methoxy-4,4-dimethylcyclohexyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781201

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 107071052) is 3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is CCOC1(c2noc(C3NCCCC3C)n2)CCCC1.
What is the InChIKey of 3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is SPQGISBNHRHNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-19-15(8-4-5-9-15)14-17-13(20-18-14)12-11(2)7-6-10-16-12/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 279.38 g/mol, XLogP of 2.94, 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-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 107071052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).