2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

C23H23ClF3N3O2 — CID 42682095

About 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 42682095) has the molecular formula C23H23ClF3N3O2 and a molecular weight of 465.90 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
• PubChem CID: 42682095
• Molecular Formula: C23H23ClF3N3O2
• Molecular Weight: 465.90 g/mol
• Exact Mass: 465.14
• IUPAC Name: 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
• SMILES: CC(C)NC(=O)c1coc(CN(Cc2cccc(Cl)c2)Cc2cccc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C23H23ClF3N3O2/c1-15(2)28-22(31)20-14-32-21(29-20)13-30(12-17-6-4-8-19(24)10-17)11-16-5-3-7-18(9-16)23(25,26)27/h3-10,14-15H,11-13H2,1-2H3,(H,28,31)
• InChIKey: DFLNAYOELXHGDT-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.90
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (CID 42682095) is 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)NC(=O)c1coc(CN(Cc2cccc(Cl)c2)Cc2cccc(C(F)(F)F)c2)n1.

What is the InChIKey of 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?

The InChIKey is DFLNAYOELXHGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O2/c1-15(2)28-22(31)20-14-32-21(29-20)13-30(12-17-6-4-8-19(24)10-17)11-16-5-3-7-18(9-16)23(25,26)27/h3-10,14-15H,11-13H2,1-2H3,(H,28,31).

What are the key properties of 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?

2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 465.90 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42682095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).