5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C102H107F5N24O14S4 — CID 158343365

About 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 158343365) has the molecular formula C102H107F5N24O14S4 and a molecular weight of 2116.39 g/mol. Its IUPAC name is 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• PubChem CID: 158343365
• Molecular Formula: C102H107F5N24O14S4
• Molecular Weight: 2116.39 g/mol
• Exact Mass: 2114.72
• IUPAC Name: 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• SMILES: CC(CCF)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@@H]5CCOC5)cc4)o3)n2)cc1.CC(CCF)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@H]5CCOC5)cc4)o3)n2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCF)cc4)cnc3N)o2)c(F)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCF)cc4)cnc3N)o2)cc1
• InChI: InChI=1S/2C27H29FN6O4S.C24H24F2N6O3S.C24H25FN6O3S/c2*1-17(10-12-28)39(35,36)22-8-6-19(7-9-22)23-15-31-25(29)24(32-23)27-34-33-26(38-27)20-4-2-18(3-5-20)14-30-21-11-13-37-16-21;1-14(9-10-25)36(33,34)17-6-4-16(5-7-17)20-13-29-22(27)21(30-20)24-32-31-23(35-24)18-8-3-15(12-28-2)11-19(18)26;1-15(11-12-25)35(32,33)19-9-7-17(8-10-19)20-14-28-22(26)21(29-20)24-31-30-23(34-24)18-5-3-16(4-6-18)13-27-2/h2*2-9,15,17,21,30H,10-14,16H2,1H3,(H2,29,31);3-8,11,13-14,28H,9-10,12H2,1-2H3,(H2,27,29);3-10,14-15,27H,11-13H2,1-2H3,(H2,26,28)/t2*17?,21-;;/m10../s1
• InChIKey: GRKSRHZLQLDXPI-LSLGCDGOSA-N
• XLogP: 15.19
• TPSA: 566.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2116.39
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The IUPAC name of 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 158343365) is 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

What is the SMILES notation for 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The canonical SMILES for 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CC(CCF)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@@H]5CCOC5)cc4)o3)n2)cc1.CC(CCF)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@H]5CCOC5)cc4)o3)n2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCF)cc4)cnc3N)o2)c(F)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCF)cc4)cnc3N)o2)cc1.

What is the InChIKey of 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The InChIKey is GRKSRHZLQLDXPI-LSLGCDGOSA-N. The full InChI is InChI=1S/2C27H29FN6O4S.C24H24F2N6O3S.C24H25FN6O3S/c2*1-17(10-12-28)39(35,36)22-8-6-19(7-9-22)23-15-31-25(29)24(32-23)27-34-33-26(38-27)20-4-2-18(3-5-20)14-30-21-11-13-37-16-21;1-14(9-10-25)36(33,34)17-6-4-16(5-7-17)20-13-29-22(27)21(30-20)24-32-31-23(35-24)18-8-3-15(12-28-2)11-19(18)26;1-15(11-12-25)35(32,33)19-9-7-17(8-10-19)20-14-28-22(26)21(29-20)24-31-30-23(34-24)18-5-3-16(4-6-18)13-27-2/h2*2-9,15,17,21,30H,10-14,16H2,1H3,(H2,29,31);3-8,11,13-14,28H,9-10,12H2,1-2H3,(H2,27,29);3-10,14-15,27H,11-13H2,1-2H3,(H2,26,28)/t2*17?,21-;;/m10../s1.

What are the key properties of 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 2116.39 g/mol, XLogP of 15.19, 38 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 158343365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).