N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide

C26H34N4O3S — CID 57160436

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

N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide (PubChem CID 57160436) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
• PubChem CID: 57160436
• Molecular Formula: C26H34N4O3S
• Molecular Weight: 482.65 g/mol
• Exact Mass: 482.24
• IUPAC Name: N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
• SMILES: CCN(CC)CCOc1ccc(CC(=O)Nc2ncc(C=Cc3ncc(C(C)(C)C)o3)s2)cc1
• InChI: InChI=1S/C26H34N4O3S/c1-6-30(7-2)14-15-32-20-10-8-19(9-11-20)16-23(31)29-25-28-17-21(34-25)12-13-24-27-18-22(33-24)26(3,4)5/h8-13,17-18H,6-7,14-16H2,1-5H3,(H,28,29,31)
• InChIKey: GMIOMJLVOYNCDO-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.65
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide (CID 57160436) is N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide.

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

The canonical SMILES for N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide is CCN(CC)CCOc1ccc(CC(=O)Nc2ncc(C=Cc3ncc(C(C)(C)C)o3)s2)cc1.

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

The InChIKey is GMIOMJLVOYNCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-6-30(7-2)14-15-32-20-10-8-19(9-11-20)16-23(31)29-25-28-17-21(34-25)12-13-24-27-18-22(33-24)26(3,4)5/h8-13,17-18H,6-7,14-16H2,1-5H3,(H,28,29,31).

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

N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide has a molecular weight of 482.65 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide is sourced from PubChem (CID 57160436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).