3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C15H20N4O2 — CID 116743762

IUPAC3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCOC(c1ccccc1)c1noc(CN2CCNCC2)n1
InChIInChI=1S/C15H20N4O2/c1-20-14(12-5-3-2-4-6-12)15-17-13(21-18-15)11-19-9-7-16-8-10-19/h2-6,14,16H,7-11H2,1H3
InChIKeyPFNVUINFLYXTKB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.21
Rot. Bonds5

About 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 116743762) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID116743762
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCOC(c1ccccc1)c1noc(CN2CCNCC2)n1
InChIInChI=1S/C15H20N4O2/c1-20-14(12-5-3-2-4-6-12)15-17-13(21-18-15)11-19-9-7-16-8-10-19/h2-6,14,16H,7-11H2,1H3
InChIKeyPFNVUINFLYXTKB-UHFFFAOYSA-N
XLogP1.21
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 116743762) is 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is COC(c1ccccc1)c1noc(CN2CCNCC2)n1.
What is the InChIKey of 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is PFNVUINFLYXTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-14(12-5-3-2-4-6-12)15-17-13(21-18-15)11-19-9-7-16-8-10-19/h2-6,14,16H,7-11H2,1H3.
What are the key properties of 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116743762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).