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

C12H22N4O — CID 64980670

IUPAC5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CC(C)NCC2C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-11-14-12(17-15-11)8-16-7-9(2)13-6-10(16)3/h9-10,13H,4-8H2,1-3H3
InChIKeyZOPMUMRTLXSWJL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.20
Rot. Bonds4

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

5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 64980670) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID64980670
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CC(C)NCC2C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-11-14-12(17-15-11)8-16-7-9(2)13-6-10(16)3/h9-10,13H,4-8H2,1-3H3
InChIKeyZOPMUMRTLXSWJL-UHFFFAOYSA-N
XLogP1.20
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 113319953
5-[(2,6-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 63910624
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64978637
3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 82705500
3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride
CID 119916375
5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 64980170
3-[(2,5-dimethylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 64980601
5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 64937197
5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid
CID 107439882
3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 63257101
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654263
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905236

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (CID 64980670) is 5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN2CC(C)NCC2C)n1.
What is the InChIKey of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is ZOPMUMRTLXSWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-11-14-12(17-15-11)8-16-7-9(2)13-6-10(16)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 64980670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).