tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole

C59H70F2N8O8 — CID 164969202

About tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole

tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole (PubChem CID 164969202) has the molecular formula C59H70F2N8O8 and a molecular weight of 1057.25 g/mol. Its IUPAC name is tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole.

Molecular Properties

• Compound Name: tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole
• PubChem CID: 164969202
• Molecular Formula: C59H70F2N8O8
• Molecular Weight: 1057.25 g/mol
• Exact Mass: 1056.53
• IUPAC Name: tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole
• SMILES: COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C5CCN(C)CC5(C)C)cc4)no3)c2cc1F.COCCOc1cc2c(cc1F)c(-c1cc(-c3ccc(C4CCN(C)CC4(C)C)cc3)no1)nn2C(=O)OC(C)(C)C
• InChI: InChI=1S/C32H39FN4O5.C27H31FN4O3/c1-31(2,3)41-30(38)37-26-18-27(40-15-14-39-7)24(33)16-22(26)29(34-37)28-17-25(35-42-28)21-10-8-20(9-11-21)23-12-13-36(6)19-32(23,4)5;1-27(2)16-32(3)10-9-20(27)17-5-7-18(8-6-17)22-14-25(35-31-22)26-19-13-21(28)24(34-12-11-33-4)15-23(19)29-30-26/h8-11,16-18,23H,12-15,19H2,1-7H3;5-8,13-15,20H,9-12,16H2,1-4H3,(H,29,30)
• InChIKey: CWUPDOBPBPOFIE-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 168.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.25
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole?

The IUPAC name of tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole (CID 164969202) is tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole.

What is the SMILES notation for tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole?

The canonical SMILES for tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C5CCN(C)CC5(C)C)cc4)no3)c2cc1F.COCCOc1cc2c(cc1F)c(-c1cc(-c3ccc(C4CCN(C)CC4(C)C)cc3)no1)nn2C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole?

The InChIKey is CWUPDOBPBPOFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN4O5.C27H31FN4O3/c1-31(2,3)41-30(38)37-26-18-27(40-15-14-39-7)24(33)16-22(26)29(34-37)28-17-25(35-42-28)21-10-8-20(9-11-21)23-12-13-36(6)19-32(23,4)5;1-27(2)16-32(3)10-9-20(27)17-5-7-18(8-6-17)22-14-25(35-31-22)26-19-13-21(28)24(34-12-11-33-4)15-23(19)29-30-26/h8-11,16-18,23H,12-15,19H2,1-7H3;5-8,13-15,20H,9-12,16H2,1-4H3,(H,29,30).

What are the key properties of tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole?

tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole has a molecular weight of 1057.25 g/mol, XLogP of 12.25, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,3,3-trimethylpiperidin-4-yl)phenyl]-1,2-oxazole is sourced from PubChem (CID 164969202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).