5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide

C21H30N4O2 — CID 95226276

About 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide

5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 95226276) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 95226276
• Molecular Formula: C21H30N4O2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.24
• IUPAC Name: 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
• SMILES: CN(Cc1ccccc1)Cc1cc(C(=O)N(C)C[C@]2(C)CCN(C)C2)no1
• InChI: InChI=1S/C21H30N4O2/c1-21(10-11-23(2)15-21)16-25(4)20(26)19-12-18(27-22-19)14-24(3)13-17-8-6-5-7-9-17/h5-9,12H,10-11,13-16H2,1-4H3/t21-/m1/s1
• InChIKey: JAQQSNSPRJIDNU-OAQYLSRUSA-N
• XLogP: 2.72
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 95226276) is 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide is CN(Cc1ccccc1)Cc1cc(C(=O)N(C)C[C@]2(C)CCN(C)C2)no1.

What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is JAQQSNSPRJIDNU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-21(10-11-23(2)15-21)16-25(4)20(26)19-12-18(27-22-19)14-24(3)13-17-8-6-5-7-9-17/h5-9,12H,10-11,13-16H2,1-4H3/t21-/m1/s1.

What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?

5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95226276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).