2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide

C25H25N3O5 — CID 50764217

About 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide

2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide (PubChem CID 50764217) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
• PubChem CID: 50764217
• Molecular Formula: C25H25N3O5
• Molecular Weight: 447.49 g/mol
• Exact Mass: 447.18
• IUPAC Name: 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
• SMILES: Cc1cc2nc(COc3cc(NC(=O)COc4cccc(C)c4C)ccc3C)cc(=O)n2o1
• InChI: InChI=1S/C25H25N3O5/c1-15-6-5-7-21(18(15)4)32-14-24(29)27-19-9-8-16(2)22(11-19)31-13-20-12-25(30)28-23(26-20)10-17(3)33-28/h5-12H,13-14H2,1-4H3,(H,27,29)
• InChIKey: CNLYNGDEGSLCGF-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.49
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?

The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide (CID 50764217) is 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide.

What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?

The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide is Cc1cc2nc(COc3cc(NC(=O)COc4cccc(C)c4C)ccc3C)cc(=O)n2o1.

What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?

The InChIKey is CNLYNGDEGSLCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-15-6-5-7-21(18(15)4)32-14-24(29)27-19-9-8-16(2)22(11-19)31-13-20-12-25(30)28-23(26-20)10-17(3)33-28/h5-12H,13-14H2,1-4H3,(H,27,29).

What are the key properties of 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?

2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide has a molecular weight of 447.49 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 50764217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).