2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

C22H20N4OS — CID 157222447

IUPAC2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCCCSc1ccccc1-c1cnc(C)c(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C22H20N4OS/c1-3-13-28-19-12-8-7-11-17(19)18-14-23-15(2)20(24-18)22-26-25-21(27-22)16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3
InChIKeySVVIARCKCWMLQL-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.67
Rot. Bonds6

About 2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 157222447) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID157222447
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCCCSc1ccccc1-c1cnc(C)c(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C22H20N4OS/c1-3-13-28-19-12-8-7-11-17(19)18-14-23-15(2)20(24-18)22-26-25-21(27-22)16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3
InChIKeySVVIARCKCWMLQL-UHFFFAOYSA-N
XLogP5.67
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 90763951
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanol
CID 159186622
4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-3-carbonitrile;molecular hydrogen
CID 160707259
2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole
CID 171392055
3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen
CID 158481748
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
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
2-(3-methyl-6-quinolin-6-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 121399760
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine
CID 59471915
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-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 157222447) is 2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is CCCSc1ccccc1-c1cnc(C)c(-c2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of 2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is SVVIARCKCWMLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-3-13-28-19-12-8-7-11-17(19)18-14-23-15(2)20(24-18)22-26-25-21(27-22)16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 388.50 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 157222447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).