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

C11H20N4O — CID 106408536

IUPAC5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCC1CN(Cc2noc(C)n2)CCN1
InChIInChI=1S/C11H20N4O/c1-3-4-10-7-15(6-5-12-10)8-11-13-9(2)16-14-11/h10,12H,3-8H2,1-2H3
InChIKeyIOGJCCMXGVWPMK-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.95
Rot. Bonds4

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

5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 106408536) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID106408536
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCC1CN(Cc2noc(C)n2)CCN1
InChIInChI=1S/C11H20N4O/c1-3-4-10-7-15(6-5-12-10)8-11-13-9(2)16-14-11/h10,12H,3-8H2,1-2H3
InChIKeyIOGJCCMXGVWPMK-UHFFFAOYSA-N
XLogP0.95
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 106408561
5-methyl-3-[(3-propyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole
CID 64950331
3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421459
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-propylpiperazine
CID 82895805
3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421539
6-[(3-propylpiperazin-1-yl)methyl]quinoline
CID 64833799
5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 124757385
1-(2,2-dimethylpropyl)-3-propylpiperazine
CID 64925908
5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 165431699

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 106408536) is 5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CCCC1CN(Cc2noc(C)n2)CCN1.
What is the InChIKey of 5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is IOGJCCMXGVWPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-10-7-15(6-5-12-10)8-11-13-9(2)16-14-11/h10,12H,3-8H2,1-2H3.
What are the key properties of 5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 224.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).