3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

C14H23N3O2 — CID 103985671

IUPAC3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESC1CC(CCc2nc(CC3CCOC3)no2)CCN1
InChIInChI=1S/C14H23N3O2/c1(11-3-6-15-7-4-11)2-14-16-13(17-19-14)9-12-5-8-18-10-12/h11-12,15H,1-10H2
InChIKeyYDVLJFCDYHUXOD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds5

About 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (PubChem CID 103985671) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
PubChem CID103985671
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESC1CC(CCc2nc(CC3CCOC3)no2)CCN1
InChIInChI=1S/C14H23N3O2/c1(11-3-6-15-7-4-11)2-14-16-13(17-19-14)9-12-5-8-18-10-12/h11-12,15H,1-10H2
InChIKeyYDVLJFCDYHUXOD-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-3-ylmethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 103985827
3-(oxolan-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842339
N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103985851
N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103985627
3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65130592
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530
5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103985689
5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134669
3-[3-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081851
3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216870
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (CID 103985671) is 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is C1CC(CCc2nc(CC3CCOC3)no2)CCN1.
What is the InChIKey of 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The InChIKey is YDVLJFCDYHUXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1(11-3-6-15-7-4-11)2-14-16-13(17-19-14)9-12-5-8-18-10-12/h11-12,15H,1-10H2.
What are the key properties of 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103985671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).