5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide

C23H24N2O5 — CID 42192580

About 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide

5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 42192580) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 42192580
• Molecular Formula: C23H24N2O5
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.17
• IUPAC Name: 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
• SMILES: COc1cccc([C@@H](C)N(C)C(=O)c2cc(COc3ccc(C(C)=O)cc3)on2)c1
• InChI: InChI=1S/C23H24N2O5/c1-15(18-6-5-7-20(12-18)28-4)25(3)23(27)22-13-21(30-24-22)14-29-19-10-8-17(9-11-19)16(2)26/h5-13,15H,14H2,1-4H3/t15-/m1/s1
• InChIKey: DAKDDCUZWZUWEJ-OAHLLOKOSA-N
• XLogP: 4.30
• TPSA: 81.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 42192580) is 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide is COc1cccc([C@@H](C)N(C)C(=O)c2cc(COc3ccc(C(C)=O)cc3)on2)c1.

What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is DAKDDCUZWZUWEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15(18-6-5-7-20(12-18)28-4)25(3)23(27)22-13-21(30-24-22)14-29-19-10-8-17(9-11-19)16(2)26/h5-13,15H,14H2,1-4H3/t15-/m1/s1.

What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?

5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42192580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).