2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide

C33H36N4O4 — CID 78008434

About 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide

2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide (PubChem CID 78008434) has the molecular formula C33H36N4O4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
• PubChem CID: 78008434
• Molecular Formula: C33H36N4O4
• Molecular Weight: 552.68 g/mol
• Exact Mass: 552.27
• IUPAC Name: 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
• SMILES: Cc1c(C)n(Cc2cccc(OC(C)c3n[nH]c(=O)o3)c2)c2ccc(C(=O)NC(C)c3cccc(C(C)C)c3)cc12
• InChI: InChI=1S/C33H36N4O4/c1-19(2)25-10-8-11-26(16-25)21(4)34-31(38)27-13-14-30-29(17-27)20(3)22(5)37(30)18-24-9-7-12-28(15-24)40-23(6)32-35-36-33(39)41-32/h7-17,19,21,23H,18H2,1-6H3,(H,34,38)(H,36,39)
• InChIKey: DCLZGBZMYZAKPU-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 102.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.68
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide?

The IUPAC name of 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide (CID 78008434) is 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide.

What is the SMILES notation for 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide?

The canonical SMILES for 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide is Cc1c(C)n(Cc2cccc(OC(C)c3n[nH]c(=O)o3)c2)c2ccc(C(=O)NC(C)c3cccc(C(C)C)c3)cc12.

What is the InChIKey of 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide?

The InChIKey is DCLZGBZMYZAKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4/c1-19(2)25-10-8-11-26(16-25)21(4)34-31(38)27-13-14-30-29(17-27)20(3)22(5)37(30)18-24-9-7-12-28(15-24)40-23(6)32-35-36-33(39)41-32/h7-17,19,21,23H,18H2,1-6H3,(H,34,38)(H,36,39).

What are the key properties of 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide?

2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide has a molecular weight of 552.68 g/mol, XLogP of 6.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-1-[[3-[1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide is sourced from PubChem (CID 78008434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).