[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole

C48H41N11O5 — CID 159860106

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole (PubChem CID 159860106) has the molecular formula C48H41N11O5 and a molecular weight of 851.93 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole.

Molecular Properties

• Compound Name: [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole
• PubChem CID: 159860106
• Molecular Formula: C48H41N11O5
• Molecular Weight: 851.93 g/mol
• Exact Mass: 851.33
• IUPAC Name: [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)c3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]cc(C(O)c3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C18H16N4O2.C18H14N4O2.C12H11N3O/c2*1-10-16(11(2)24-22-10)13-6-14-15(9-21-18(14)20-8-13)17(23)12-4-3-5-19-7-12;1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10/h3-9,17,23H,1-2H3,(H,20,21);3-9H,1-2H3,(H,20,21);3-6H,1-2H3,(H,13,14)
• InChIKey: NRANJXFAOQXBAV-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 227.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.93
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?

The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole (CID 159860106) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole.

What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?

The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole is Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)c3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]cc(C(O)c3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]ccc2c1.

What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?

The InChIKey is NRANJXFAOQXBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.C18H14N4O2.C12H11N3O/c2*1-10-16(11(2)24-22-10)13-6-14-15(9-21-18(14)20-8-13)17(23)12-4-3-5-19-7-12;1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10/h3-9,17,23H,1-2H3,(H,20,21);3-9H,1-2H3,(H,20,21);3-6H,1-2H3,(H,13,14).

What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole has a molecular weight of 851.93 g/mol, XLogP of 9.61, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole is sourced from PubChem (CID 159860106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).