3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole

C13H18N4O2 — CID 63874829

IUPAC3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCC1CN(Cc2noc(-c3ccco3)n2)CC(C)N1
InChIInChI=1S/C13H18N4O2/c1-9-6-17(7-10(2)14-9)8-12-15-13(19-16-12)11-4-3-5-18-11/h3-5,9-10,14H,6-8H2,1-2H3
InChIKeyDXJWJSWVUHSOIW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.51
Rot. Bonds3

About 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole

3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 63874829) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID63874829
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCC1CN(Cc2noc(-c3ccco3)n2)CC(C)N1
InChIInChI=1S/C13H18N4O2/c1-9-6-17(7-10(2)14-9)8-12-15-13(19-16-12)11-4-3-5-18-11/h3-5,9-10,14H,6-8H2,1-2H3
InChIKeyDXJWJSWVUHSOIW-UHFFFAOYSA-N
XLogP1.51
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole (CID 63874829) is 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole is CC1CN(Cc2noc(-c3ccco3)n2)CC(C)N1.
What is the InChIKey of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is DXJWJSWVUHSOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-6-17(7-10(2)14-9)8-12-15-13(19-16-12)11-4-3-5-18-11/h3-5,9-10,14H,6-8H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63874829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).