2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide

C25H26N4O4S — CID 46674615

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 46674615) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
• PubChem CID: 46674615
• Molecular Formula: C25H26N4O4S
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.17
• IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
• SMILES: Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1
• InChI: InChI=1S/C25H26N4O4S/c1-16-21(17(2)33-28-16)15-32-20-6-3-18(4-7-20)13-24(30)26-19-5-8-22-23(14-19)34-25(27-22)29-9-11-31-12-10-29/h3-8,14H,9-13,15H2,1-2H3,(H,26,30)
• InChIKey: GYJZNQBOPQIBBH-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.57
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide?

The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide (CID 46674615) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide.

What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide?

The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide is Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1.

What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide?

The InChIKey is GYJZNQBOPQIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-16-21(17(2)33-28-16)15-32-20-6-3-18(4-7-20)13-24(30)26-19-5-8-22-23(14-19)34-25(27-22)29-9-11-31-12-10-29/h3-8,14H,9-13,15H2,1-2H3,(H,26,30).

What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide?

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 478.57 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 46674615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).