N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate

C₆₂H₅₉BrF₆N₈O₈ — CID 159905235

About N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate

N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate (PubChem CID 159905235) has the molecular formula C₆₂H₅₉BrF₆N₈O₈ and a molecular weight of 1238.09 g/mol. Its IUPAC name is N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate
• PubChem CID: 159905235
• Molecular Formula: C₆₂H₅₉BrF₆N₈O₈
• Molecular Weight: 1238.09 g/mol
• Exact Mass: 1236.35
• IUPAC Name: N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate
• SMILES: COC(=O)c1nc(C2CCC(C(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CC2)oc1-c1ccccc1.O=C(NCCCC(=O)C1CCC(c2nc(Br)c(-c3ccccc3)o2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F
• InChI: InChI=1S/C32H31F3N4O5.C30H28BrF3N4O3/c1-43-31(42)26-27(21-9-4-2-5-10-21)44-30(37-26)22-16-14-20(15-17-22)25(40)13-8-18-36-29(41)24-19-39(23-11-6-3-7-12-23)38-28(24)32(33,34)35;31-27-25(20-8-3-1-4-9-20)41-29(36-27)21-15-13-19(14-16-21)24(39)12-7-17-35-28(40)23-18-38(22-10-5-2-6-11-22)37-26(23)30(32,33)34/h2-7,9-12,19-20,22H,8,13-18H2,1H3,(H,36,41);1-6,8-11,18-19,21H,7,12-17H2,(H,35,40)
• InChIKey: NWMGWVUGFDGGHV-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 206.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1238.09
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate?

The IUPAC name of N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate (CID 159905235) is N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate.

What is the SMILES notation for N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate?

The canonical SMILES for N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate is COC(=O)c1nc(C2CCC(C(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CC2)oc1-c1ccccc1.O=C(NCCCC(=O)C1CCC(c2nc(Br)c(-c3ccccc3)o2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F.

What is the InChIKey of N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate?

The InChIKey is NWMGWVUGFDGGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N4O5.C30H28BrF3N4O3/c1-43-31(42)26-27(21-9-4-2-5-10-21)44-30(37-26)22-16-14-20(15-17-22)25(40)13-8-18-36-29(41)24-19-39(23-11-6-3-7-12-23)38-28(24)32(33,34)35;31-27-25(20-8-3-1-4-9-20)41-29(36-27)21-15-13-19(14-16-21)24(39)12-7-17-35-28(40)23-18-38(22-10-5-2-6-11-22)37-26(23)30(32,33)34/h2-7,9-12,19-20,22H,8,13-18H2,1H3,(H,36,41);1-6,8-11,18-19,21H,7,12-17H2,(H,35,40).

What are the key properties of N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate?

N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate has a molecular weight of 1238.09 g/mol, XLogP of 13.75, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 159905235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159905235 — identifiers, structure, computed properties (public domain)

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