3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride

C11H21ClN4O — CID 119916375

IUPAC3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride
SMILESCCCc1nc(CN2CCNCC2C)no1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-3-4-11-13-10(14-16-11)8-15-6-5-12-7-9(15)2;/h9,12H,3-8H2,1-2H3;1H
InChIKeyVJAURRUYOZLSDK-UHFFFAOYSA-N
MW260.77 g/mol
LogP1.24
Rot. Bonds4

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

3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 119916375) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride
PubChem CID119916375
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC Name3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride
SMILESCCCc1nc(CN2CCNCC2C)no1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-3-4-11-13-10(14-16-11)8-15-6-5-12-7-9(15)2;/h9,12H,3-8H2,1-2H3;1H
InChIKeyVJAURRUYOZLSDK-UHFFFAOYSA-N
XLogP1.24
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 82705500
5-[(2,6-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 63910624
3-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 82756104
5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64980670
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 120753387
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
2-ethyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 82756029
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119916365
5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65428927
(2R,3S)-2-methyl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
CID 128986971
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride (CID 119916375) is 3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride is CCCc1nc(CN2CCNCC2C)no1.Cl.
What is the InChIKey of 3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is VJAURRUYOZLSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O.ClH/c1-3-4-11-13-10(14-16-11)8-15-6-5-12-7-9(15)2;/h9,12H,3-8H2,1-2H3;1H.
What are the key properties of 3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride?
3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119916375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).