2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate

C119H117Br3F6N18O13 — CID 172966785

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate

2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate (PubChem CID 172966785) has the molecular formula C119H117Br3F6N18O13 and a molecular weight of 2361.06 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate.

Molecular Properties

• Compound Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate
• PubChem CID: 172966785
• Molecular Formula: C119H117Br3F6N18O13
• Molecular Weight: 2361.06 g/mol
• Exact Mass: 2356.65
• IUPAC Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate
• SMILES: C=C(C)c1cc(C)nn1C.COC(=O)c1ccc(C2=NOC(C)(c3cc(C)nn3C)C2)c2ccccc12.Cc1cc(C2(C)CC(c3ccc(Br)c4ccccc34)=NO2)n(C)n1.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.O/N=C/c1ccc(Br)c2ccccc12.O=Cc1ccc(Br)c2ccccc12
• InChI: InChI=1S/C25H25F3N4O3.C21H21N3O3.C20H19N3O3.C19H18BrN3O.C11H8BrNO.C11H7BrO.C8H12N2.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;1-13-11-19(24(3)22-13)21(2)12-18(23-27-21)16-9-10-17(20(25)26-4)15-8-6-5-7-14(15)16;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;1-12-10-18(23(3)21-12)19(2)11-17(22-24-19)15-8-9-16(20)14-7-5-4-6-13(14)15;12-11-6-5-8(7-13-14)9-3-1-2-4-10(9)11;12-11-6-5-8(7-13)9-3-1-2-4-10(9)11;1-6(2)8-5-7(3)9-10(8)4;5-4(6,7)2-9-3(10)1-8/h4-9,12H,10-11,13-14H2,1-3H3,(H,29,34);5-11H,12H2,1-4H3;4-10H,11H2,1-3H3,(H,24,25);4-10H,11H2,1-3H3;1-7,14H;1-7H;5H,1H2,2-4H3;1-2,8H2,(H,9,10)/b;;;;13-7+
• InChIKey: JYKKDWPKXVHPHK-PMSAJJCWSA-N
• XLogP: 24.79
• TPSA: 390.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2361.06
LogP ≤ 5	24.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate?

The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate (CID 172966785) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate.

What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate?

The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate is C=C(C)c1cc(C)nn1C.COC(=O)c1ccc(C2=NOC(C)(c3cc(C)nn3C)C2)c2ccccc12.Cc1cc(C2(C)CC(c3ccc(Br)c4ccccc34)=NO2)n(C)n1.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.O/N=C/c1ccc(Br)c2ccccc12.O=Cc1ccc(Br)c2ccccc12.

What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate?

The InChIKey is JYKKDWPKXVHPHK-PMSAJJCWSA-N. The full InChI is InChI=1S/C25H25F3N4O3.C21H21N3O3.C20H19N3O3.C19H18BrN3O.C11H8BrNO.C11H7BrO.C8H12N2.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;1-13-11-19(24(3)22-13)21(2)12-18(23-27-21)16-9-10-17(20(25)26-4)15-8-6-5-7-14(15)16;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;1-12-10-18(23(3)21-12)19(2)11-17(22-24-19)15-8-9-16(20)14-7-5-4-6-13(14)15;12-11-6-5-8(7-13-14)9-3-1-2-4-10(9)11;12-11-6-5-8(7-13)9-3-1-2-4-10(9)11;1-6(2)8-5-7(3)9-10(8)4;5-4(6,7)2-9-3(10)1-8/h4-9,12H,10-11,13-14H2,1-3H3,(H,29,34);5-11H,12H2,1-4H3;4-10H,11H2,1-3H3,(H,24,25);4-10H,11H2,1-3H3;1-7,14H;1-7H;5H,1H2,2-4H3;1-2,8H2,(H,9,10)/b;;;;13-7+;;;.

What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate?

2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate has a molecular weight of 2361.06 g/mol, XLogP of 24.79, 20 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;4-bromonaphthalene-1-carbaldehyde;3-(4-bromonaphthalen-1-yl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;1,3-dimethyl-5-prop-1-en-2-ylpyrazole;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;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate is sourced from PubChem (CID 172966785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).