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

C13H20N6O3S — CID 128975147

IUPAC5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1nccc1S(=O)(=O)N1CCN(C)C(c2nc(C)no2)C1
InChIInChI=1S/C13H20N6O3S/c1-4-19-12(5-6-14-19)23(20,21)18-8-7-17(3)11(9-18)13-15-10(2)16-22-13/h5-6,11H,4,7-9H2,1-3H3
InChIKeyZXRKWMYDZCXLFG-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.27
Rot. Bonds4

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

5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 128975147) has the molecular formula C13H20N6O3S and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID128975147
Molecular FormulaC13H20N6O3S
Molecular Weight340.41 g/mol
Exact Mass340.13
IUPAC Name5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1nccc1S(=O)(=O)N1CCN(C)C(c2nc(C)no2)C1
InChIInChI=1S/C13H20N6O3S/c1-4-19-12(5-6-14-19)23(20,21)18-8-7-17(3)11(9-18)13-15-10(2)16-22-13/h5-6,11H,4,7-9H2,1-3H3
InChIKeyZXRKWMYDZCXLFG-UHFFFAOYSA-N
XLogP0.27
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129486090
[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-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole
CID 136541538
2-ethyl-4-(2-propylpyrazol-3-yl)sulfonylmorpholine
CID 131910815
5-[(2S)-4-[2-(2-chlorophenoxy)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129351338
5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129009267
5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 126810966
4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 91650718
5-[(2S)-4-(3,5-dichloro-2-pyridinyl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129491457
N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
CID 163160946

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 128975147) is 5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is CCn1nccc1S(=O)(=O)N1CCN(C)C(c2nc(C)no2)C1.
What is the InChIKey of 5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is ZXRKWMYDZCXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O3S/c1-4-19-12(5-6-14-19)23(20,21)18-8-7-17(3)11(9-18)13-15-10(2)16-22-13/h5-6,11H,4,7-9H2,1-3H3.
What are the key properties of 5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 340.41 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 128975147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).