5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen

C22H25N5O3S — CID 161492468

IUPAC5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen
SMILESCC(C)(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C22H21N5O3S.2H2/c1-22(2,3)31(28,29)16-11-9-14(10-12-16)17-13-24-19(23)18(25-17)21-27-26-20(30-21)15-7-5-4-6-8-15;;/h4-13H,1-3H3,(H2,23,24);2*1H
InChIKeyWFUILBSYPKSFBO-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.51
Rot. Bonds4

About 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen

5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen (PubChem CID 161492468) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen
PubChem CID161492468
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen
SMILESCC(C)(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C22H21N5O3S.2H2/c1-22(2,3)31(28,29)16-11-9-14(10-12-16)17-13-24-19(23)18(25-17)21-27-26-20(30-21)15-7-5-4-6-8-15;;/h4-13H,1-3H3,(H2,23,24);2*1H
InChIKeyWFUILBSYPKSFBO-UHFFFAOYSA-N
XLogP4.51
TPSA124.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol
CID 91438968
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
5-(furan-3-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen
CID 160935970
3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
CID 157338818
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine
CID 59471915
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide
CID 59471656
5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 161124180
2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile
CID 59472199
5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 160686209
2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-1-(azetidin-1-yl)-2-methylpropan-1-one
CID 66562564

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen?
The IUPAC name of 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen (CID 161492468) is 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen.
What is the SMILES notation for 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen?
The canonical SMILES for 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen is CC(C)(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1.[H][H].[H][H].
What is the InChIKey of 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen?
The InChIKey is WFUILBSYPKSFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S.2H2/c1-22(2,3)31(28,29)16-11-9-14(10-12-16)17-13-24-19(23)18(25-17)21-27-26-20(30-21)15-7-5-4-6-8-15;;/h4-13H,1-3H3,(H2,23,24);2*1H.
What are the key properties of 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen?
5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen has a molecular weight of 439.54 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 161492468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).