5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C16H25N3O3 — CID 72872995

IUPAC5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESC1CC(N2CCC(c3nc(C4CCOC4)no3)CC2)CCO1
InChIInChI=1S/C16H25N3O3/c1-6-19(14-4-9-20-10-5-14)7-2-12(1)16-17-15(18-22-16)13-3-8-21-11-13/h12-14H,1-11H2
InChIKeyRJNUZZJABMDIGX-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.93
Rot. Bonds3

About 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72872995) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72872995
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESC1CC(N2CCC(c3nc(C4CCOC4)no3)CC2)CCO1
InChIInChI=1S/C16H25N3O3/c1-6-19(14-4-9-20-10-5-14)7-2-12(1)16-17-15(18-22-16)13-3-8-21-11-13/h12-14H,1-11H2
InChIKeyRJNUZZJABMDIGX-UHFFFAOYSA-N
XLogP1.93
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72872995) is 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is C1CC(N2CCC(c3nc(C4CCOC4)no3)CC2)CCO1.
What is the InChIKey of 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is RJNUZZJABMDIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-6-19(14-4-9-20-10-5-14)7-2-12(1)16-17-15(18-22-16)13-3-8-21-11-13/h12-14H,1-11H2.
What are the key properties of 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 307.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-4-yl)piperidin-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72872995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).