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

C15H22N4O2 — CID 64978654

IUPAC3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCC1CN(Cc2noc(-c3ccco3)n2)C(CC)CN1
InChIInChI=1S/C15H22N4O2/c1-3-11-9-19(12(4-2)8-16-11)10-14-17-15(21-18-14)13-6-5-7-20-13/h5-7,11-12,16H,3-4,8-10H2,1-2H3
InChIKeyJKDIZOPCULHHCR-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.29
Rot. Bonds5

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

3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 64978654) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID64978654
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCC1CN(Cc2noc(-c3ccco3)n2)C(CC)CN1
InChIInChI=1S/C15H22N4O2/c1-3-11-9-19(12(4-2)8-16-11)10-14-17-15(21-18-14)13-6-5-7-20-13/h5-7,11-12,16H,3-4,8-10H2,1-2H3
InChIKeyJKDIZOPCULHHCR-UHFFFAOYSA-N
XLogP2.29
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 66209326
5-cyclopropyl-3-[(2,5-diethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 64978825
[4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine
CID 103352935
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 63874829
5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65450165
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64978637
2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 64977800
3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 106408467
2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684294
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 64978789
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072214

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole (CID 64978654) is 3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole is CCC1CN(Cc2noc(-c3ccco3)n2)C(CC)CN1.
What is the InChIKey of 3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is JKDIZOPCULHHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-11-9-19(12(4-2)8-16-11)10-14-17-15(21-18-14)13-6-5-7-20-13/h5-7,11-12,16H,3-4,8-10H2,1-2H3.
What are the key properties of 3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 64978654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).