N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen

C18H24N6O3S — CID 162003585

IUPACN-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen
SMILESCCS(=O)(=O)NC1CN(c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)C1.[H][H].[H][H]
InChIInChI=1S/C18H20N6O3S.2H2/c1-3-28(25,26)23-14-10-24(11-14)15-9-19-12(2)16(20-15)18-22-21-17(27-18)13-7-5-4-6-8-13;;/h4-9,14,23H,3,10-11H2,1-2H3;2*1H
InChIKeyYSNMEYCHMKQXDT-UHFFFAOYSA-N
MW404.50 g/mol
LogP2.12
Rot. Bonds6

About N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen

N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen (PubChem CID 162003585) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen
PubChem CID162003585
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC NameN-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen
SMILESCCS(=O)(=O)NC1CN(c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)C1.[H][H].[H][H]
InChIInChI=1S/C18H20N6O3S.2H2/c1-3-28(25,26)23-14-10-24(11-14)15-9-19-12(2)16(20-15)18-22-21-17(27-18)13-7-5-4-6-8-13;;/h4-9,14,23H,3,10-11H2,1-2H3;2*1H
InChIKeyYSNMEYCHMKQXDT-UHFFFAOYSA-N
XLogP2.12
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 162010857
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
cyclopentyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]methanone;molecular hydrogen
CID 159001872
2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 158857920
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 161402480
(3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen
CID 162249367
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
N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]acetamide;molecular hydrogen
CID 161451115
1-[(2S)-4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propan-2-ylpiperazin-1-yl]propan-1-one;molecular hydrogen
CID 162175829
1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
CID 161223720
2-[3-methyl-6-(3-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 146735790

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen?
The IUPAC name of N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen (CID 162003585) is N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen.
What is the SMILES notation for N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen?
The canonical SMILES for N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen is CCS(=O)(=O)NC1CN(c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)C1.[H][H].[H][H].
What is the InChIKey of N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen?
The InChIKey is YSNMEYCHMKQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S.2H2/c1-3-28(25,26)23-14-10-24(11-14)15-9-19-12(2)16(20-15)18-22-21-17(27-18)13-7-5-4-6-8-13;;/h4-9,14,23H,3,10-11H2,1-2H3;2*1H.
What are the key properties of N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen?
N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen has a molecular weight of 404.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen is sourced from PubChem (CID 162003585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).