3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C9H16N4O2 — CID 62312437

IUPAC3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCNCC2)n1
InChIInChI=1S/C9H16N4O2/c1-14-7-8-11-9(15-12-8)6-13-4-2-10-3-5-13/h10H,2-7H2,1H3
InChIKeyMQNYMOVBOMVQTF-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.38
Rot. Bonds4

About 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 62312437) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID62312437
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCNCC2)n1
InChIInChI=1S/C9H16N4O2/c1-14-7-8-11-9(15-12-8)6-13-4-2-10-3-5-13/h10H,2-7H2,1H3
InChIKeyMQNYMOVBOMVQTF-UHFFFAOYSA-N
XLogP-0.38
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 62312437) is 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is COCc1noc(CN2CCNCC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is MQNYMOVBOMVQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-14-7-8-11-9(15-12-8)6-13-4-2-10-3-5-13/h10H,2-7H2,1H3.
What are the key properties of 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 212.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62312437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).