4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

C97H79Cl4F6N15O8S2 — CID 161343111

About 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 161343111) has the molecular formula C97H79Cl4F6N15O8S2 and a molecular weight of 1902.73 g/mol. Its IUPAC name is 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
• PubChem CID: 161343111
• Molecular Formula: C97H79Cl4F6N15O8S2
• Molecular Weight: 1902.73 g/mol
• Exact Mass: 1899.43
• IUPAC Name: 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
• SMILES: CCC(N)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6cc(C#N)ccc56)c4O3)c2C1.FC(F)(F)CNCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.FC(F)(F)c1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1
• InChI: InChI=1S/C25H19ClN4O2.C24H20ClF3N4O2S.C24H17ClF3N3O2.C24H23ClN4O2S/c1-30-7-5-21-20(13-30)25(32-29-21)23-10-15-9-16(26)11-19(24(15)31-23)17-4-6-28-22-8-14(12-27)2-3-18(17)22;25-13-5-12-6-20(22-17-10-29-3-2-18(17)32-34-22)33-21(12)16(7-13)15-1-4-31-19-8-14(35-23(15)19)9-30-11-24(26,27)28;25-14-7-12-8-21(23-18-11-29-5-4-19(18)31-33-23)32-22(12)17(10-14)15-3-6-30-20-9-13(24(26,27)28)1-2-16(15)20;1-2-17(26)21-10-19-24(32-21)14(3-6-28-19)15-9-13(25)7-12-8-20(30-22(12)15)23-16-11-27-5-4-18(16)29-31-23/h2-4,6,8-9,11,23H,5,7,10,13H2,1H3;1,4-5,7-8,20,29-30H,2-3,6,9-11H2;1-3,6-7,9-10,21,29H,4-5,8,11H2;3,6-7,9-10,17,20,27H,2,4-5,8,11,26H2,1H3
• InChIKey: VMXYIQIANKTETL-UHFFFAOYSA-N
• XLogP: 21.88
• TPSA: 293.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1902.73
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

The IUPAC name of 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (CID 161343111) is 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

What is the SMILES notation for 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

The canonical SMILES for 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is CCC(N)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6cc(C#N)ccc56)c4O3)c2C1.FC(F)(F)CNCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.FC(F)(F)c1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.

What is the InChIKey of 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

The InChIKey is VMXYIQIANKTETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2.C24H20ClF3N4O2S.C24H17ClF3N3O2.C24H23ClN4O2S/c1-30-7-5-21-20(13-30)25(32-29-21)23-10-15-9-16(26)11-19(24(15)31-23)17-4-6-28-22-8-14(12-27)2-3-18(17)22;25-13-5-12-6-20(22-17-10-29-3-2-18(17)32-34-22)33-21(12)16(7-13)15-1-4-31-19-8-14(35-23(15)19)9-30-11-24(26,27)28;25-14-7-12-8-21(23-18-11-29-5-4-19(18)31-33-23)32-22(12)17(10-14)15-3-6-30-20-9-13(24(26,27)28)1-2-16(15)20;1-2-17(26)21-10-19-24(32-21)14(3-6-28-19)15-9-13(25)7-12-8-20(30-22(12)15)23-16-11-27-5-4-18(16)29-31-23/h2-4,6,8-9,11,23H,5,7,10,13H2,1H3;1,4-5,7-8,20,29-30H,2-3,6,9-11H2;1-3,6-7,9-10,21,29H,4-5,8,11H2;3,6-7,9-10,17,20,27H,2,4-5,8,11,26H2,1H3.

What are the key properties of 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 1902.73 g/mol, XLogP of 21.88, 13 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2,2-trifluoroethanamine;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-amine;3-[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 161343111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).