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

C21H23N5O2S — CID 162264441

IUPAC[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
SMILESCc1ncc(-c2ccccc2S(C)=O)nc1-c1nnc(-c2cccc(CN)c2)o1.[H][H].[H][H]
InChIInChI=1S/C21H19N5O2S.2H2/c1-13-19(21-26-25-20(28-21)15-7-5-6-14(10-15)11-22)24-17(12-23-13)16-8-3-4-9-18(16)29(2)27;;/h3-10,12H,11,22H2,1-2H3;2*1H
InChIKeyZZRYGVHYGJFUKS-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.86
Rot. Bonds5

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

[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen (PubChem CID 162264441) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is [3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen.

Molecular Properties

Compound Name[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
PubChem CID162264441
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
SMILESCc1ncc(-c2ccccc2S(C)=O)nc1-c1nnc(-c2cccc(CN)c2)o1.[H][H].[H][H]
InChIInChI=1S/C21H19N5O2S.2H2/c1-13-19(21-26-25-20(28-21)15-7-5-6-14(10-15)11-22)24-17(12-23-13)16-8-3-4-9-18(16)29(2)27;;/h3-10,12H,11,22H2,1-2H3;2*1H
InChIKeyZZRYGVHYGJFUKS-UHFFFAOYSA-N
XLogP3.86
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
CID 161228678
2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen
CID 158375941
[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanol
CID 159186622
1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
CID 161223720
2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 90763951
5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
CID 158392426
4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-3-carbonitrile;molecular hydrogen
CID 160707259
2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 157222447
2-[3-methyl-6-(3-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 146735790
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen
CID 158825320
N,N-dimethyl-4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide;molecular hydrogen
CID 158225404

Frequently Asked Questions

What is the IUPAC name of [3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen?
The IUPAC name of [3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen (CID 162264441) is [3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen.
What is the SMILES notation for [3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen?
The canonical SMILES for [3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen is Cc1ncc(-c2ccccc2S(C)=O)nc1-c1nnc(-c2cccc(CN)c2)o1.[H][H].[H][H].
What is the InChIKey of [3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen?
The InChIKey is ZZRYGVHYGJFUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S.2H2/c1-13-19(21-26-25-20(28-21)15-7-5-6-14(10-15)11-22)24-17(12-23-13)16-8-3-4-9-18(16)29(2)27;;/h3-10,12H,11,22H2,1-2H3;2*1H.
What are the key properties of [3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen?
[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen has a molecular weight of 409.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen is sourced from PubChem (CID 162264441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).