N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid

C17H24N4O4 — CID 154912409

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid (PubChem CID 154912409) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid.

Molecular Properties

• Compound Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid
• PubChem CID: 154912409
• Molecular Formula: C17H24N4O4
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.18
• IUPAC Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid
• SMILES: Cc1noc(C)c1CN(C)C(=O)CN(C)Cc1cccnc1.O=CO
• InChI: InChI=1S/C16H22N4O2.CH2O2/c1-12-15(13(2)22-18-12)10-20(4)16(21)11-19(3)9-14-6-5-7-17-8-14;2-1-3/h5-8H,9-11H2,1-4H3;1H,(H,2,3)
• InChIKey: ZLQZKNYAFCHTHG-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 99.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.40
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid?

The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid (CID 154912409) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid.

What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid?

The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid is Cc1noc(C)c1CN(C)C(=O)CN(C)Cc1cccnc1.O=CO.

What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid?

The InChIKey is ZLQZKNYAFCHTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.CH2O2/c1-12-15(13(2)22-18-12)10-20(4)16(21)11-19(3)9-14-6-5-7-17-8-14;2-1-3/h5-8H,9-11H2,1-4H3;1H,(H,2,3).

What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid?

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid has a molecular weight of 348.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid is sourced from PubChem (CID 154912409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).