3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole

C14H23N3O2 — CID 104880792

IUPAC3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
SMILESCC1(C)CC1c1noc(CCOC2CCNCC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2)9-11(14)13-16-12(19-17-13)5-8-18-10-3-6-15-7-4-10/h10-11,15H,3-9H2,1-2H3
InChIKeyKFKZDTCPBZICKG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.89
Rot. Bonds5

About 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole

3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole (PubChem CID 104880792) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
PubChem CID104880792
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
SMILESCC1(C)CC1c1noc(CCOC2CCNCC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2)9-11(14)13-16-12(19-17-13)5-8-18-10-3-6-15-7-4-10/h10-11,15H,3-9H2,1-2H3
InChIKeyKFKZDTCPBZICKG-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-amine
CID 65418361
N,N-dimethyl-2-[5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115345496
4-methyl-2-[5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79071496
3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 116701753
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880780
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107924677
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 63869406
N-cyclopropyl-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790886
[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
CID 107924486
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 107924606
3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65330329
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107924436

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole (CID 104880792) is 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole is CC1(C)CC1c1noc(CCOC2CCNCC2)n1.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
The InChIKey is KFKZDTCPBZICKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2)9-11(14)13-16-12(19-17-13)5-8-18-10-3-6-15-7-4-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104880792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).