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

C9H16N4O — CID 130158026

IUPAC3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCN(C)CC1
InChIInChI=1S/C9H16N4O/c1-8-9(11-14-10-8)7-13-5-3-12(2)4-6-13/h3-7H2,1-2H3
InChIKeyIUJOXKQCLOUCGF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds2

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

3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole (PubChem CID 130158026) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
PubChem CID130158026
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCN(C)CC1
InChIInChI=1S/C9H16N4O/c1-8-9(11-14-10-8)7-13-5-3-12(2)4-6-13/h3-7H2,1-2H3
InChIKeyIUJOXKQCLOUCGF-UHFFFAOYSA-N
XLogP0.13
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 91946603
2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 131923933
3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid
CID 91946677
3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 16673944
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 115874237
[4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 114961447
3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126910227
5,6-dimethyl-3-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941307
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 118761146
[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 91833350
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 91946588
5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 35674820

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole (CID 130158026) is 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole is Cc1nonc1CN1CCN(C)CC1.
What is the InChIKey of 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole?
The InChIKey is IUJOXKQCLOUCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8-9(11-14-10-8)7-13-5-3-12(2)4-6-13/h3-7H2,1-2H3.
What are the key properties of 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole?
3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 130158026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).