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

C13H20N6O — CID 129486090

IUPAC3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CN(Cc3ccnn3C)CCN2C)n1
InChIInChI=1S/C13H20N6O/c1-10-15-13(20-16-10)12-9-19(7-6-17(12)2)8-11-4-5-14-18(11)3/h4-5,12H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyUBDSDNBAKIVHPZ-GFCCVEGCSA-N
MW276.34 g/mol
LogP0.60
Rot. Bonds3

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

3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole (PubChem CID 129486090) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
PubChem CID129486090
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CN(Cc3ccnn3C)CCN2C)n1
InChIInChI=1S/C13H20N6O/c1-10-15-13(20-16-10)12-9-19(7-6-17(12)2)8-11-4-5-14-18(11)3/h4-5,12H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyUBDSDNBAKIVHPZ-GFCCVEGCSA-N
XLogP0.60
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129484536
[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
CID 128980571
5-[(2S)-4-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485896
3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129484503
5-[(2R,4R)-4-methoxy-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128993270
5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485828
4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 137213877
5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 126810966
3-[[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]benzamide
CID 129346925
3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 128979096
5-[(2S)-4-[2-(2-chlorophenoxy)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129351338
5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128975147

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole (CID 129486090) is 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole is Cc1noc([C@H]2CN(Cc3ccnn3C)CCN2C)n1.
What is the InChIKey of 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole?
The InChIKey is UBDSDNBAKIVHPZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10-15-13(20-16-10)12-9-19(7-6-17(12)2)8-11-4-5-14-18(11)3/h4-5,12H,6-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole?
3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole has a molecular weight of 276.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129486090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).