2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

C49H51F6N9O7 — CID 169427052

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 169427052) has the molecular formula C49H51F6N9O7 and a molecular weight of 991.99 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

• Compound Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
• PubChem CID: 169427052
• Molecular Formula: C49H51F6N9O7
• Molecular Weight: 991.99 g/mol
• Exact Mass: 991.38
• IUPAC Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
• SMILES: Cc1cc(C2(C)CC(c3ccc(C(=O)CCC(=O)NCC(F)(F)F)c4ccccc34)=NO2)n(C)n1.Cc1cc(C2(C)CC(c3ccc(C(=O)O)c4ccccc34)=NO2)n(C)n1.NCC(=O)NCC(F)(F)F
• InChI: InChI=1S/C25H25F3N4O3.C20H19N3O3.C4H7F3N2O/c1-15-12-22(32(3)30-15)24(2)13-20(31-35-24)18-8-9-19(17-7-5-4-6-16(17)18)21(33)10-11-23(34)29-14-25(26,27)28;1-12-10-18(23(3)21-12)20(2)11-17(22-26-20)15-8-9-16(19(24)25)14-7-5-4-6-13(14)15;5-4(6,7)2-9-3(10)1-8/h4-9,12H,10-11,13-14H2,1-3H3,(H,29,34);4-10H,11H2,1-3H3,(H,24,25);1-2,8H2,(H,9,10)
• InChIKey: LFOUIJNBRFGDOW-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 217.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.99
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (CID 169427052) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.

What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is Cc1cc(C2(C)CC(c3ccc(C(=O)CCC(=O)NCC(F)(F)F)c4ccccc34)=NO2)n(C)n1.Cc1cc(C2(C)CC(c3ccc(C(=O)O)c4ccccc34)=NO2)n(C)n1.NCC(=O)NCC(F)(F)F.

What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

The InChIKey is LFOUIJNBRFGDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3.C20H19N3O3.C4H7F3N2O/c1-15-12-22(32(3)30-15)24(2)13-20(31-35-24)18-8-9-19(17-7-5-4-6-16(17)18)21(33)10-11-23(34)29-14-25(26,27)28;1-12-10-18(23(3)21-12)20(2)11-17(22-26-20)15-8-9-16(19(24)25)14-7-5-4-6-13(14)15;5-4(6,7)2-9-3(10)1-8/h4-9,12H,10-11,13-14H2,1-3H3,(H,29,34);4-10H,11H2,1-3H3,(H,24,25);1-2,8H2,(H,9,10).

What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 991.99 g/mol, XLogP of 7.81, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 169427052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).