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

C13H21N3O2 — CID 113391173

IUPAC3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESC1CCC(Cc2noc(C3CCNCC3)n2)OC1
InChIInChI=1S/C13H21N3O2/c1-2-8-17-11(3-1)9-12-15-13(18-16-12)10-4-6-14-7-5-10/h10-11,14H,1-9H2
InChIKeyNOPJRDINVIOZBV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds3

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

3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 113391173) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID113391173
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESC1CCC(Cc2noc(C3CCNCC3)n2)OC1
InChIInChI=1S/C13H21N3O2/c1-2-8-17-11(3-1)9-12-15-13(18-16-12)10-4-6-14-7-5-10/h10-11,14H,1-9H2
InChIKeyNOPJRDINVIOZBV-UHFFFAOYSA-N
XLogP1.65
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
3-(oxolan-2-ylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832525
3-(oxan-3-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080678
5-(4-ethylpiperidin-2-yl)-3-(oxan-2-ylmethyl)-1,2,4-oxadiazole
CID 114429992
5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 102548111
4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 113391148
3-(ethylsulfanylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 65131299
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080670
3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474214
5-(oxan-4-yl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 86820422
5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014845
3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole
CID 130015814

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 113391173) is 3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole is C1CCC(Cc2noc(C3CCNCC3)n2)OC1.
What is the InChIKey of 3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is NOPJRDINVIOZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-8-17-11(3-1)9-12-15-13(18-16-12)10-4-6-14-7-5-10/h10-11,14H,1-9H2.
What are the key properties of 3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 113391173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).