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

C110H117FN24O19S4 — CID 159682183

About 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

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 (PubChem CID 159682183) has the molecular formula C110H117FN24O19S4 and a molecular weight of 2226.56 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159682183
• Molecular Formula: C110H117FN24O19S4
• Molecular Weight: 2226.56 g/mol
• Exact Mass: 2224.78
• IUPAC Name: 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
• SMILES: CCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C5CCOCC5)cc4)cnc3N)o2)cc1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOCC3)cc2)nc1-c1nnc(-c2ccc(CN[C@@H]3CCOC3)cc2)o1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOCC3)cc2)nc1-c1nnc(-c2ccc(CN[C@@H]3CCOC3)cc2F)o1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOCC3)cc2)nc1-c1nnc(-c2ccc(CN[C@H]3CCOC3)cc2)o1
• InChI: InChI=1S/C28H29FN6O5S.2C28H30N6O5S.C26H28N6O4S/c29-23-13-17(14-31-19-7-10-39-16-19)1-6-22(23)27-34-35-28(40-27)25-26(30)32-15-24(33-25)18-2-4-20(5-3-18)41(36,37)21-8-11-38-12-9-21;2*29-26-25(28-34-33-27(39-28)20-3-1-18(2-4-20)15-30-21-9-12-38-17-21)32-24(16-31-26)19-5-7-22(8-6-19)40(35,36)23-10-13-37-14-11-23;1-2-28-15-17-3-5-19(6-4-17)25-31-32-26(36-25)23-24(27)29-16-22(30-23)18-7-9-20(10-8-18)37(33,34)21-11-13-35-14-12-21/h1-6,13,15,19,21,31H,7-12,14,16H2,(H2,30,32);2*1-8,16,21,23,30H,9-15,17H2,(H2,29,31);3-10,16,21,28H,2,11-15H2,1H3,(H2,27,29)/t19-;2*21-;/m110./s1
• InChIKey: MVIMEXRUPPNKKW-FMHBOAEKSA-N
• XLogP: 13.47
• TPSA: 612.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2226.56
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C5CCOCC5)cc4)cnc3N)o2)cc1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOCC3)cc2)nc1-c1nnc(-c2ccc(CN[C@@H]3CCOC3)cc2)o1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOCC3)cc2)nc1-c1nnc(-c2ccc(CN[C@@H]3CCOC3)cc2F)o1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOCC3)cc2)nc1-c1nnc(-c2ccc(CN[C@H]3CCOC3)cc2)o1.

What is the InChIKey of 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?

The InChIKey is MVIMEXRUPPNKKW-FMHBOAEKSA-N. The full InChI is InChI=1S/C28H29FN6O5S.2C28H30N6O5S.C26H28N6O4S/c29-23-13-17(14-31-19-7-10-39-16-19)1-6-22(23)27-34-35-28(40-27)25-26(30)32-15-24(33-25)18-2-4-20(5-3-18)41(36,37)21-8-11-38-12-9-21;2*29-26-25(28-34-33-27(39-28)20-3-1-18(2-4-20)15-30-21-9-12-38-17-21)32-24(16-31-26)19-5-7-22(8-6-19)40(35,36)23-10-13-37-14-11-23;1-2-28-15-17-3-5-19(6-4-17)25-31-32-26(36-25)23-24(27)29-16-22(30-23)18-7-9-20(10-8-18)37(33,34)21-11-13-35-14-12-21/h1-6,13,15,19,21,31H,7-12,14,16H2,(H2,30,32);2*1-8,16,21,23,30H,9-15,17H2,(H2,29,31);3-10,16,21,28H,2,11-15H2,1H3,(H2,27,29)/t19-;2*21-;/m110./s1.

What are the key properties of 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?

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 has a molecular weight of 2226.56 g/mol, XLogP of 13.47, 32 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159682183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).