3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide

C59H47F6N13O5 — CID 161386281

About 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide

3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 161386281) has the molecular formula C59H47F6N13O5 and a molecular weight of 1132.10 g/mol. Its IUPAC name is 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide
• PubChem CID: 161386281
• Molecular Formula: C59H47F6N13O5
• Molecular Weight: 1132.10 g/mol
• Exact Mass: 1131.37
• IUPAC Name: 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide
• SMILES: Cc1ccc(Cn2nc(NC(=O)c3conc3C)c3ccccc32)cc1.Cc1cnoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnc[nH]1
• InChI: InChI=1S/C20H15F3N4O2.C20H18N4O2.C19H14F3N5O/c1-12-10-24-29-17(12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23;1-13-7-9-15(10-8-13)11-24-18-6-4-3-5-16(18)19(22-24)21-20(25)17-12-26-23-14(17)2;20-19(21,22)13-7-5-12(6-8-13)10-27-16-4-2-1-3-14(16)17(26-27)25-18(28)15-9-23-11-24-15/h2-10H,11H2,1H3,(H,25,26,28);3-10,12H,11H2,1-2H3,(H,21,22,25);1-9,11H,10H2,(H,23,24)(H,25,26,28)
• InChIKey: VSJUUJSCZGIXCO-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 221.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.10
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide?

The IUPAC name of 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide (CID 161386281) is 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide.

What is the SMILES notation for 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide?

The canonical SMILES for 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide is Cc1ccc(Cn2nc(NC(=O)c3conc3C)c3ccccc32)cc1.Cc1cnoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnc[nH]1.

What is the InChIKey of 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide?

The InChIKey is VSJUUJSCZGIXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2.C20H18N4O2.C19H14F3N5O/c1-12-10-24-29-17(12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23;1-13-7-9-15(10-8-13)11-24-18-6-4-3-5-16(18)19(22-24)21-20(25)17-12-26-23-14(17)2;20-19(21,22)13-7-5-12(6-8-13)10-27-16-4-2-1-3-14(16)17(26-27)25-18(28)15-9-23-11-24-15/h2-10H,11H2,1H3,(H,25,26,28);3-10,12H,11H2,1-2H3,(H,21,22,25);1-9,11H,10H2,(H,23,24)(H,25,26,28).

What are the key properties of 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide?

3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 1132.10 g/mol, XLogP of 12.67, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 161386281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).