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

C14H23N3O2 — CID 80691095

IUPAC3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCC1(c2noc(CC3CCCNC3)n2)CCCCO1
InChIInChI=1S/C14H23N3O2/c1-14(6-2-3-8-18-14)13-16-12(19-17-13)9-11-5-4-7-15-10-11/h11,15H,2-10H2,1H3
InChIKeyJPGJTRBYVVNTAS-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.03
Rot. Bonds3

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

3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 80691095) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID80691095
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCC1(c2noc(CC3CCCNC3)n2)CCCCO1
InChIInChI=1S/C14H23N3O2/c1-14(6-2-3-8-18-14)13-16-12(19-17-13)9-11-5-4-7-15-10-11/h11,15H,2-10H2,1H3
InChIKeyJPGJTRBYVVNTAS-UHFFFAOYSA-N
XLogP2.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80690666
5-(1,4-diazepan-1-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80690233
3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 116741349
1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80681737
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483538

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 80691095) is 3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is CC1(c2noc(CC3CCCNC3)n2)CCCCO1.
What is the InChIKey of 3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is JPGJTRBYVVNTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(6-2-3-8-18-14)13-16-12(19-17-13)9-11-5-4-7-15-10-11/h11,15H,2-10H2,1H3.
What are the key properties of 3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80691095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).