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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Related Compounds

[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780931
3-butan-2-yl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63716823
5-but-3-ynyl-3-[methoxy(phenyl)methyl]-1,2,4-oxadiazole
CID 87101717
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780933
4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 116744207
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216
methyl 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 42120342
1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 30898469
5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342702
3-(1-benzofuran-2-yl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63092011
3-benzyl-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119906219

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).