2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide

C78H56N12O8 — CID 160654580

About 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide

2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide (PubChem CID 160654580) has the molecular formula C78H56N12O8 and a molecular weight of 1289.38 g/mol. Its IUPAC name is 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide
• PubChem CID: 160654580
• Molecular Formula: C78H56N12O8
• Molecular Weight: 1289.38 g/mol
• Exact Mass: 1288.43
• IUPAC Name: 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide
• SMILES: O=C(CNC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.O=C(NCC(=O)c1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12.O=C(c1ncc(-c2c[nH]c3ccccc23)o1)c1c[nH]c2ccccc12.c1ccc2c(-c3cnc(-c4c[nH]c5ccccc45)o3)c[nH]c2c1
• InChI: InChI=1S/C20H15N3O3.C20H13N3O2.C19H15N3O2.C19H13N3O/c24-18(14-9-21-16-7-3-1-5-12(14)16)11-23-20(26)19(25)15-10-22-17-8-4-2-6-13(15)17;24-19(15-10-22-17-8-4-2-6-13(15)17)20-23-11-18(25-20)14-9-21-16-7-3-1-5-12(14)16;23-18(14-9-20-16-7-3-1-5-12(14)16)11-22-19(24)15-10-21-17-8-4-2-6-13(15)17;1-3-7-16-12(5-1)14(9-20-16)18-11-22-19(23-18)15-10-21-17-8-4-2-6-13(15)17/h1-10,21-22H,11H2,(H,23,26);1-11,21-22H;1-10,20-21H,11H2,(H,22,24);1-11,20-21H
• InChIKey: RKWMKMJPICXHND-UHFFFAOYSA-N
• XLogP: 15.60
• TPSA: 304.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.38
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide?

The IUPAC name of 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide (CID 160654580) is 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide.

What is the SMILES notation for 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide?

The canonical SMILES for 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide is O=C(CNC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.O=C(NCC(=O)c1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12.O=C(c1ncc(-c2c[nH]c3ccccc23)o1)c1c[nH]c2ccccc12.c1ccc2c(-c3cnc(-c4c[nH]c5ccccc45)o3)c[nH]c2c1.

What is the InChIKey of 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide?

The InChIKey is RKWMKMJPICXHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3.C20H13N3O2.C19H15N3O2.C19H13N3O/c24-18(14-9-21-16-7-3-1-5-12(14)16)11-23-20(26)19(25)15-10-22-17-8-4-2-6-13(15)17;24-19(15-10-22-17-8-4-2-6-13(15)17)20-23-11-18(25-20)14-9-21-16-7-3-1-5-12(14)16;23-18(14-9-20-16-7-3-1-5-12(14)16)11-22-19(24)15-10-21-17-8-4-2-6-13(15)17;1-3-7-16-12(5-1)14(9-20-16)18-11-22-19(23-18)15-10-21-17-8-4-2-6-13(15)17/h1-10,21-22H,11H2,(H,23,26);1-11,21-22H;1-10,20-21H,11H2,(H,22,24);1-11,20-21H.

What are the key properties of 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide?

2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide has a molecular weight of 1289.38 g/mol, XLogP of 15.60, 14 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(1H-indol-3-yl)-1,3-oxazole;1H-indol-3-yl-[5-(1H-indol-3-yl)-1,3-oxazol-2-yl]methanone;2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-2-oxoethyl]-2-oxoacetamide;N-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 160654580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).