2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

C19H24N6O3S — CID 162010857

IUPAC2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
SMILESCCS(=O)(=O)N1CCN(c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)CC1.[H][H]
InChIInChI=1S/C19H22N6O3S.H2/c1-3-29(26,27)25-11-9-24(10-12-25)16-13-20-14(2)17(21-16)19-23-22-18(28-19)15-7-5-4-6-8-15;/h4-8,13H,3,9-12H2,1-2H3;1H
InChIKeyYTLJPSOFTUDOPK-UHFFFAOYSA-N
MW416.51 g/mol
LogP2.22
Rot. Bonds5

About 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (PubChem CID 162010857) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

Molecular Properties

Compound Name2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
PubChem CID162010857
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
SMILESCCS(=O)(=O)N1CCN(c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)CC1.[H][H]
InChIInChI=1S/C19H22N6O3S.H2/c1-3-29(26,27)25-11-9-24(10-12-25)16-13-20-14(2)17(21-16)19-23-22-18(28-19)15-7-5-4-6-8-15;/h4-8,13H,3,9-12H2,1-2H3;1H
InChIKeyYTLJPSOFTUDOPK-UHFFFAOYSA-N
XLogP2.22
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen with MolForge

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Related Compounds

2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 158857920
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen
CID 159144483
N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen
CID 162003585
cyclopentyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]methanone;molecular hydrogen
CID 159001872
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 161402480
5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 66745389
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen
CID 162006828
1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one
CID 159627603
2-[5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole
CID 157363288
N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]acetamide;molecular hydrogen
CID 161451115

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?
The IUPAC name of 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (CID 162010857) is 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.
What is the SMILES notation for 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?
The canonical SMILES for 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is CCS(=O)(=O)N1CCN(c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)CC1.[H][H].
What is the InChIKey of 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?
The InChIKey is YTLJPSOFTUDOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S.H2/c1-3-29(26,27)25-11-9-24(10-12-25)16-13-20-14(2)17(21-16)19-23-22-18(28-19)15-7-5-4-6-8-15;/h4-8,13H,3,9-12H2,1-2H3;1H.
What are the key properties of 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?
2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen has a molecular weight of 416.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is sourced from PubChem (CID 162010857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).