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

C9H16N4O — CID 104975565

IUPAC5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN[C@H](C)C2)no1
InChIInChI=1S/C9H16N4O/c1-7-5-13(4-3-10-7)6-9-11-8(2)14-12-9/h7,10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyOWBLSOMWCQNEQC-SSDOTTSWSA-N
MW196.25 g/mol
LogP0.17
Rot. Bonds2

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

5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 104975565) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID104975565
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN[C@H](C)C2)no1
InChIInChI=1S/C9H16N4O/c1-7-5-13(4-3-10-7)6-9-11-8(2)14-12-9/h7,10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyOWBLSOMWCQNEQC-SSDOTTSWSA-N
XLogP0.17
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408536
3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 106408561
5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65450165
5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975780
6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 104977266
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
3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421539
5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 165431699
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 106402344

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 104975565) is 5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCN[C@H](C)C2)no1.
What is the InChIKey of 5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is OWBLSOMWCQNEQC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-5-13(4-3-10-7)6-9-11-8(2)14-12-9/h7,10H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 104975565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).