3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

C69H66FN13O9S6 — CID 159750024

IUPAC3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccsc1-c1cc(-c2nc(-c3ccc(S(=O)(=O)C4CCCNC4)cc3)cnc2C)on1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1cc(-c2sccc2F)no1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1nnc(-c2cccs2)o1
InChIInChI=1S/C24H24N4O3S2.C23H21FN4O3S2.C22H21N5O3S2/c1-15-9-11-32-24(15)20-12-22(31-28-20)23-16(2)26-14-21(27-23)17-5-7-18(8-6-17)33(29,30)19-4-3-10-25-13-19;1-14-22(21-11-19(28-31-21)23-18(24)8-10-32-23)27-20(13-26-14)15-4-6-16(7-5-15)33(29,30)17-3-2-9-25-12-17;1-14-20(22-27-26-21(30-22)19-5-3-11-31-19)25-18(13-24-14)15-6-8-16(9-7-15)32(28,29)17-4-2-10-23-12-17/h5-9,11-12,14,19,25H,3-4,10,13H2,1-2H3;4-8,10-11,13,17,25H,2-3,9,12H2,1H3;3,5-9,11,13,17,23H,2,4,10,12H2,1H3
InChIKeyNDNPODSDZZOILY-UHFFFAOYSA-N
MW1432.77 g/mol
LogP12.93
Rot. Bonds15

About 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 159750024) has the molecular formula C69H66FN13O9S6 and a molecular weight of 1432.77 g/mol. Its IUPAC name is 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID159750024
Molecular FormulaC69H66FN13O9S6
Molecular Weight1432.77 g/mol
Exact Mass1431.34
IUPAC Name3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccsc1-c1cc(-c2nc(-c3ccc(S(=O)(=O)C4CCCNC4)cc3)cnc2C)on1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1cc(-c2sccc2F)no1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1nnc(-c2cccs2)o1
InChIInChI=1S/C24H24N4O3S2.C23H21FN4O3S2.C22H21N5O3S2/c1-15-9-11-32-24(15)20-12-22(31-28-20)23-16(2)26-14-21(27-23)17-5-7-18(8-6-17)33(29,30)19-4-3-10-25-13-19;1-14-22(21-11-19(28-31-21)23-18(24)8-10-32-23)27-20(13-26-14)15-4-6-16(7-5-15)33(29,30)17-3-2-9-25-12-17;1-14-20(22-27-26-21(30-22)19-5-3-11-31-19)25-18(13-24-14)15-6-8-16(9-7-15)32(28,29)17-4-2-10-23-12-17/h5-9,11-12,14,19,25H,3-4,10,13H2,1-2H3;4-8,10-11,13,17,25H,2-3,9,12H2,1H3;3,5-9,11,13,17,23H,2,4,10,12H2,1H3
InChIKeyNDNPODSDZZOILY-UHFFFAOYSA-N
XLogP12.93
TPSA306.83 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.77
LogP ≤ 512.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

1-[4-[5-[5-[5-[dihydroxy(propan-2-yl)-lambda4-sulfanyl]pyrazin-2-yl]-2-methyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;2-[5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole;3-(4-methylphenyl)-5-[2-methyl-5-(5-propan-2-ylsulfonyl-2-pyridinyl)-3-pyridinyl]-1,2-oxazole;molecular hydrogen
CID 157363287
2-Methyl-2-[4-[5-methyl-6-[3-[4-[(oxetan-3-ylmethylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
CID 157397953
5-[3-Methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-phenyl-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-thiophen-2-yl-1,2-oxazole;molecular hydrogen
CID 157601852
2-[4-[5-[3-Methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 158232748
1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen
CID 158261679
2-[4-[5-Amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]butanenitrile;2-[4-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-ethylbutanenitrile;2-[4-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;4-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile
CID 158329734
2-[4-[5-Amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)
CID 158345813
3-[5-[6-[4-[1-(Dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;2-(3-methyl-6-phenylpyrazin-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole;5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophene-3-carbonitrile;molecular hydrogen
CID 158762161
3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine
CID 158873632
3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 159035650
3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine;5-[4-(oxan-4-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(oxan-4-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 159355719
3-[5-[4-(ethylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine;5-[4-(oxan-4-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(oxan-4-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 159682183

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 159750024) is 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1ccsc1-c1cc(-c2nc(-c3ccc(S(=O)(=O)C4CCCNC4)cc3)cnc2C)on1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1cc(-c2sccc2F)no1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1nnc(-c2cccs2)o1.
What is the InChIKey of 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is NDNPODSDZZOILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2.C23H21FN4O3S2.C22H21N5O3S2/c1-15-9-11-32-24(15)20-12-22(31-28-20)23-16(2)26-14-21(27-23)17-5-7-18(8-6-17)33(29,30)19-4-3-10-25-13-19;1-14-22(21-11-19(28-31-21)23-18(24)8-10-32-23)27-20(13-26-14)15-4-6-16(7-5-15)33(29,30)17-3-2-9-25-12-17;1-14-20(22-27-26-21(30-22)19-5-3-11-31-19)25-18(13-24-14)15-6-8-16(9-7-15)32(28,29)17-4-2-10-23-12-17/h5-9,11-12,14,19,25H,3-4,10,13H2,1-2H3;4-8,10-11,13,17,25H,2-3,9,12H2,1H3;3,5-9,11,13,17,23H,2,4,10,12H2,1H3.
What are the key properties of 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 1432.77 g/mol, XLogP of 12.93, 15 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorothiophen-2-yl)-5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazole;5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-3-(3-methylthiophen-2-yl)-1,2-oxazole;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 159750024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).