3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole

C12H21N3O2 — CID 81046287

IUPAC3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CC(C)C2CCCNC2)n1
InChIInChI=1S/C12H21N3O2/c1-9(10-4-3-5-13-7-10)6-12-14-11(8-16-2)15-17-12/h9-10,13H,3-8H2,1-2H3
InChIKeyJRHUCKFESBPTKE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.39
Rot. Bonds5

About 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole

3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole (PubChem CID 81046287) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
PubChem CID81046287
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CC(C)C2CCCNC2)n1
InChIInChI=1S/C12H21N3O2/c1-9(10-4-3-5-13-7-10)6-12-14-11(8-16-2)15-17-12/h9-10,13H,3-8H2,1-2H3
InChIKeyJRHUCKFESBPTKE-UHFFFAOYSA-N
XLogP1.39
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfanylmethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048201
3-(1-methoxycyclopentyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 104609699
3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81047095
3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
CID 119947686
3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120849673
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63349559
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154889034
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 63350605
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole (CID 81046287) is 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole is COCc1noc(CC(C)C2CCCNC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is JRHUCKFESBPTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(10-4-3-5-13-7-10)6-12-14-11(8-16-2)15-17-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 239.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 81046287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).