N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide

C25H32N4O4S2 — CID 59913264

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide (PubChem CID 59913264) has the molecular formula C25H32N4O4S2 and a molecular weight of 516.69 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide
• PubChem CID: 59913264
• Molecular Formula: C25H32N4O4S2
• Molecular Weight: 516.69 g/mol
• Exact Mass: 516.19
• IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide
• SMILES: CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccc(COCN4CCOCC4)c3)s2)o1
• InChI: InChI=1S/C25H32N4O4S2/c1-25(2,3)20-13-26-22(33-20)16-34-23-14-27-24(35-23)28-21(30)12-18-5-4-6-19(11-18)15-32-17-29-7-9-31-10-8-29/h4-6,11,13-14H,7-10,12,15-17H2,1-3H3,(H,27,28,30)
• InChIKey: ZZKQFSHIMIEQHA-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.69
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide (CID 59913264) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide.

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

The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccc(COCN4CCOCC4)c3)s2)o1.

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

The InChIKey is ZZKQFSHIMIEQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S2/c1-25(2,3)20-13-26-22(33-20)16-34-23-14-27-24(35-23)28-21(30)12-18-5-4-6-19(11-18)15-32-17-29-7-9-31-10-8-29/h4-6,11,13-14H,7-10,12,15-17H2,1-3H3,(H,27,28,30).

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

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide has a molecular weight of 516.69 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-(morpholin-4-ylmethoxymethyl)phenyl]acetamide is sourced from PubChem (CID 59913264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).