N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide

C28H34N4O5 — CID 156704759

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide (PubChem CID 156704759) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide
• PubChem CID: 156704759
• Molecular Formula: C28H34N4O5
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.25
• IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide
• SMILES: COCCCOCCOc1ccc2c(c1)ncn2-c1ccc(CC(=O)Nc2cc(C(C)(C)C)no2)cc1
• InChI: InChI=1S/C28H34N4O5/c1-28(2,3)25-18-27(37-31-25)30-26(33)16-20-6-8-21(9-7-20)32-19-29-23-17-22(10-11-24(23)32)36-15-14-35-13-5-12-34-4/h6-11,17-19H,5,12-16H2,1-4H3,(H,30,33)
• InChIKey: HOMMVCGZOVEPQI-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 100.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide?

The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide (CID 156704759) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide.

What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide?

The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide is COCCCOCCOc1ccc2c(c1)ncn2-c1ccc(CC(=O)Nc2cc(C(C)(C)C)no2)cc1.

What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide?

The InChIKey is HOMMVCGZOVEPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-28(2,3)25-18-27(37-31-25)30-26(33)16-20-6-8-21(9-7-20)32-19-29-23-17-22(10-11-24(23)32)36-15-14-35-13-5-12-34-4/h6-11,17-19H,5,12-16H2,1-4H3,(H,30,33).

What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide?

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide has a molecular weight of 506.60 g/mol, XLogP of 4.92, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 156704759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).