3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole

C15H25N3O2 — CID 65329250

IUPAC3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C3CCOCC3)no2)CCNCC1
InChIInChI=1S/C15H25N3O2/c1-2-5-15(6-8-16-9-7-15)14-17-13(18-20-14)12-3-10-19-11-4-12/h12,16H,2-11H2,1H3
InChIKeyCBEDMXFLCKXRJQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.38
Rot. Bonds4

About 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole

3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 65329250) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID65329250
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C3CCOCC3)no2)CCNCC1
InChIInChI=1S/C15H25N3O2/c1-2-5-15(6-8-16-9-7-15)14-17-13(18-20-14)12-3-10-19-11-4-12/h12,16H,2-11H2,1H3
InChIKeyCBEDMXFLCKXRJQ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-methoxyethyl)piperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 138039510
3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126024
3-(3-methylcyclohexyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125853
3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65393679
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126026
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125830
3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole
CID 120960751
5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (CID 65329250) is 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is CCCC1(c2nc(C3CCOCC3)no2)CCNCC1.
What is the InChIKey of 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is CBEDMXFLCKXRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-5-15(6-8-16-9-7-15)14-17-13(18-20-14)12-3-10-19-11-4-12/h12,16H,2-11H2,1H3.
What are the key properties of 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 279.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65329250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).