4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine

C97H68F8N16O5 — CID 157288232

About 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine

4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine (PubChem CID 157288232) has the molecular formula C97H68F8N16O5 and a molecular weight of 1689.70 g/mol. Its IUPAC name is 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine.

Molecular Properties

• Compound Name: 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine
• PubChem CID: 157288232
• Molecular Formula: C97H68F8N16O5
• Molecular Weight: 1689.70 g/mol
• Exact Mass: 1688.54
• IUPAC Name: 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine
• SMILES: CN(C)Cc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cc1.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)cc4)cc23)c1F.N#Cc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cc1.Nc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cc1
• InChI: InChI=1S/C27H22F2N4O2.C25H20F2N4O.C23H12F2N4O.C22H14F2N4O/c28-24-3-1-2-20(25(24)29)23-15-32-35-26(23)22-14-31-27-21(22)12-19(13-30-27)18-6-4-17(5-7-18)16-33-8-10-34-11-9-33;1-31(2)14-15-6-8-16(9-7-15)17-10-19-20(12-29-25(19)28-11-17)24-21(13-30-32-24)18-4-3-5-22(26)23(18)27;24-20-3-1-2-16(21(20)25)19-12-29-30-22(19)18-11-28-23-17(18)8-15(10-27-23)14-6-4-13(9-26)5-7-14;23-19-3-1-2-15(20(19)24)18-11-28-29-21(18)17-10-27-22-16(17)8-13(9-26-22)12-4-6-14(25)7-5-12/h1-7,12-15H,8-11,16H2,(H,30,31);3-13H,14H2,1-2H3,(H,28,29);1-8,10-12H,(H,27,28);1-11H,25H2,(H,26,27)
• InChIKey: BAMLZPAEMAUIMW-UHFFFAOYSA-N
• XLogP: 22.67
• TPSA: 284.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1689.70
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine?

The IUPAC name of 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine (CID 157288232) is 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine.

What is the SMILES notation for 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine?

The canonical SMILES for 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine is CN(C)Cc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cc1.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)cc4)cc23)c1F.N#Cc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cc1.Nc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cc1.

What is the InChIKey of 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine?

The InChIKey is BAMLZPAEMAUIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N4O2.C25H20F2N4O.C23H12F2N4O.C22H14F2N4O/c28-24-3-1-2-20(25(24)29)23-15-32-35-26(23)22-14-31-27-21(22)12-19(13-30-27)18-6-4-17(5-7-18)16-33-8-10-34-11-9-33;1-31(2)14-15-6-8-16(9-7-15)17-10-19-20(12-29-25(19)28-11-17)24-21(13-30-32-24)18-4-3-5-22(26)23(18)27;24-20-3-1-2-16(21(20)25)19-12-29-30-22(19)18-11-28-23-17(18)8-15(10-27-23)14-6-4-13(9-26)5-7-14;23-19-3-1-2-15(20(19)24)18-11-28-29-21(18)17-10-27-22-16(17)8-13(9-26-22)12-4-6-14(25)7-5-12/h1-7,12-15H,8-11,16H2,(H,30,31);3-13H,14H2,1-2H3,(H,28,29);1-8,10-12H,(H,27,28);1-11H,25H2,(H,26,27).

What are the key properties of 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine?

4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine has a molecular weight of 1689.70 g/mol, XLogP of 22.67, 16 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;1-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine;4-[[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 157288232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).