N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide

C12H16F3N5O4 — CID 51282323

About N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide (PubChem CID 51282323) has the molecular formula C12H16F3N5O4 and a molecular weight of 351.29 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
• PubChem CID: 51282323
• Molecular Formula: C12H16F3N5O4
• Molecular Weight: 351.29 g/mol
• Exact Mass: 351.12
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
• SMILES: Cc1cc(NC(=O)CN(C)CC(=O)NC(=O)NCC(F)(F)F)no1
• InChI: InChI=1S/C12H16F3N5O4/c1-7-3-8(19-24-7)17-9(21)4-20(2)5-10(22)18-11(23)16-6-12(13,14)15/h3H,4-6H2,1-2H3,(H,17,19,21)(H2,16,18,22,23)
• InChIKey: HRQFIQBKZTWSDT-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 116.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.29
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide (CID 51282323) is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide is Cc1cc(NC(=O)CN(C)CC(=O)NC(=O)NCC(F)(F)F)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide?

The InChIKey is HRQFIQBKZTWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O4/c1-7-3-8(19-24-7)17-9(21)4-20(2)5-10(22)18-11(23)16-6-12(13,14)15/h3H,4-6H2,1-2H3,(H,17,19,21)(H2,16,18,22,23).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide has a molecular weight of 351.29 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide is sourced from PubChem (CID 51282323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).