3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole

C96H69F10N19O6 — CID 157317120

About 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole

3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (PubChem CID 157317120) has the molecular formula C96H69F10N19O6 and a molecular weight of 1774.71 g/mol. Its IUPAC name is 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
• PubChem CID: 157317120
• Molecular Formula: C96H69F10N19O6
• Molecular Weight: 1774.71 g/mol
• Exact Mass: 1773.55
• IUPAC Name: 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
• SMILES: CN(C)CC#Cc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1.CN(C)Cc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1.CN(C)c1ccnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c12.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccncc4)cc23)c1F.OCc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1
• InChI: InChI=1S/C21H12F2N4O.C21H16F2N4O.C19H16F2N4O.C18H14F2N4O.C17H11F2N3O2/c22-18-3-1-2-14(19(18)23)17-11-27-28-20(17)16-10-26-21-15(16)8-13(9-25-21)12-4-6-24-7-5-12;1-27(2)8-4-5-13-9-15-16(11-25-21(15)24-10-13)20-17(12-26-28-20)14-6-3-7-18(22)19(14)23;1-25(2)10-11-6-13-14(8-23-19(13)22-7-11)18-15(9-24-26-18)12-4-3-5-16(20)17(12)21;1-24(2)14-6-7-21-18-15(14)12(8-22-18)17-11(9-23-25-17)10-4-3-5-13(19)16(10)20;18-14-3-1-2-10(15(14)19)13-7-22-24-16(13)12-6-21-17-11(12)4-9(8-23)5-20-17/h1-11H,(H,25,26);3,6-7,9-12H,8H2,1-2H3,(H,24,25);3-9H,10H2,1-2H3,(H,22,23);3-9H,1-2H3,(H,21,22);1-7,23H,8H2,(H,20,21)
• InChIKey: BDSQDEMBCTYSLL-UHFFFAOYSA-N
• XLogP: 21.41
• TPSA: 316.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1774.71
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

The IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (CID 157317120) is 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.

What is the SMILES notation for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

The canonical SMILES for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is CN(C)CC#Cc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1.CN(C)Cc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1.CN(C)c1ccnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c12.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccncc4)cc23)c1F.OCc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1.

What is the InChIKey of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

The InChIKey is BDSQDEMBCTYSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2N4O.C21H16F2N4O.C19H16F2N4O.C18H14F2N4O.C17H11F2N3O2/c22-18-3-1-2-14(19(18)23)17-11-27-28-20(17)16-10-26-21-15(16)8-13(9-25-21)12-4-6-24-7-5-12;1-27(2)8-4-5-13-9-15-16(11-25-21(15)24-10-13)20-17(12-26-28-20)14-6-3-7-18(22)19(14)23;1-25(2)10-11-6-13-14(8-23-19(13)22-7-11)18-15(9-24-26-18)12-4-3-5-16(20)17(12)21;1-24(2)14-6-7-21-18-15(14)12(8-22-18)17-11(9-23-25-17)10-4-3-5-13(19)16(10)20;18-14-3-1-2-10(15(14)19)13-7-22-24-16(13)12-6-21-17-11(12)4-9(8-23)5-20-17/h1-11H,(H,25,26);3,6-7,9-12H,8H2,1-2H3,(H,24,25);3-9H,10H2,1-2H3,(H,22,23);3-9H,1-2H3,(H,21,22);1-7,23H,8H2,(H,20,21).

What are the key properties of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole has a molecular weight of 1774.71 g/mol, XLogP of 21.41, 16 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;1-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylmethanamine;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylprop-2-yn-1-amine;[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is sourced from PubChem (CID 157317120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).