3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride

C15H28ClN5O2 — CID 120904126

IUPAC3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCc1noc(CN2CCN(CC3(C)CCNC3)CC2)n1.Cl
InChIInChI=1S/C15H27N5O2.ClH/c1-15(3-4-16-11-15)12-20-7-5-19(6-8-20)9-14-17-13(10-21-2)18-22-14;/h16H,3-12H2,1-2H3;1H
InChIKeyQXOOKSXBOXYUDH-UHFFFAOYSA-N
MW345.88 g/mol
LogP0.75
Rot. Bonds6

About 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride

3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120904126) has the molecular formula C15H28ClN5O2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120904126
Molecular FormulaC15H28ClN5O2
Molecular Weight345.88 g/mol
Exact Mass345.19
IUPAC Name3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCc1noc(CN2CCN(CC3(C)CCNC3)CC2)n1.Cl
InChIInChI=1S/C15H27N5O2.ClH/c1-15(3-4-16-11-15)12-20-7-5-19(6-8-20)9-14-17-13(10-21-2)18-22-14;/h16H,3-12H2,1-2H3;1H
InChIKeyQXOOKSXBOXYUDH-UHFFFAOYSA-N
XLogP0.75
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methoxyethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120901647
3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120849673
3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99826427
4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120904295
3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 91661796
3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145186
5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 62310459
3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 120901026
5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 133455374
1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897569
1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898158
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 136536784

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride (CID 120904126) is 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride is COCc1noc(CN2CCN(CC3(C)CCNC3)CC2)n1.Cl.
What is the InChIKey of 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is QXOOKSXBOXYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2.ClH/c1-15(3-4-16-11-15)12-20-7-5-19(6-8-20)9-14-17-13(10-21-2)18-22-14;/h16H,3-12H2,1-2H3;1H.
What are the key properties of 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 345.88 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120904126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).