tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone

C83H93F4N15O17 — CID 165073066

About tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone

tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 165073066) has the molecular formula C83H93F4N15O17 and a molecular weight of 1649.74 g/mol. Its IUPAC name is tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone
• PubChem CID: 165073066
• Molecular Formula: C83H93F4N15O17
• Molecular Weight: 1649.74 g/mol
• Exact Mass: 1648.69
• IUPAC Name: tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone
• SMILES: CC(C)(C)OC(=O)N1CCNCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCNCC5)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)O)cc4)no3)c2cc1F.[2H]CF
• InChI: InChI=1S/C29H32FN5O6.C24H24FN5O4.C20H16FN3O5.C9H18N2O2.CH3F/c1-29(2,3)40-28(37)35-11-9-34(10-12-35)27(36)19-7-5-18(6-8-19)22-16-25(41-33-22)26-20-15-21(30)24(39-14-13-38-4)17-23(20)31-32-26;1-32-10-11-33-21-14-20-17(12-18(21)25)23(28-27-20)22-13-19(29-34-22)15-2-4-16(5-3-15)24(31)30-8-6-26-7-9-30;1-27-6-7-28-17-10-16-13(8-14(17)21)19(23-22-16)18-9-15(24-29-18)11-2-4-12(5-3-11)20(25)26;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2/h5-8,15-17H,9-14H2,1-4H3,(H,31,32);2-5,12-14,26H,6-11H2,1H3,(H,27,28);2-5,8-10H,6-7H2,1H3,(H,22,23)(H,25,26);10H,4-7H2,1-3H3;1H3/i;;;;1D
• InChIKey: TVVKEVLDEITOGU-KBJZJHATSA-N
• XLogP: 13.00
• TPSA: 380.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1649.74
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone?

The IUPAC name of tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone (CID 165073066) is tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone.

What is the SMILES notation for tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone?

The canonical SMILES for tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone is CC(C)(C)OC(=O)N1CCNCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCNCC5)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)O)cc4)no3)c2cc1F.[2H]CF.

What is the InChIKey of tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone?

The InChIKey is TVVKEVLDEITOGU-KBJZJHATSA-N. The full InChI is InChI=1S/C29H32FN5O6.C24H24FN5O4.C20H16FN3O5.C9H18N2O2.CH3F/c1-29(2,3)40-28(37)35-11-9-34(10-12-35)27(36)19-7-5-18(6-8-19)22-16-25(41-33-22)26-20-15-21(30)24(39-14-13-38-4)17-23(20)31-32-26;1-32-10-11-33-21-14-20-17(12-18(21)25)23(28-27-20)22-13-19(29-34-22)15-2-4-16(5-3-15)24(31)30-8-6-26-7-9-30;1-27-6-7-28-17-10-16-13(8-14(17)21)19(23-22-16)18-9-15(24-29-18)11-2-4-12(5-3-11)20(25)26;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2/h5-8,15-17H,9-14H2,1-4H3,(H,31,32);2-5,12-14,26H,6-11H2,1H3,(H,27,28);2-5,8-10H,6-7H2,1H3,(H,22,23)(H,25,26);10H,4-7H2,1-3H3;1H3/i;;;;1D.

What are the key properties of tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone?

tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 1649.74 g/mol, XLogP of 13.00, 21 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;deuterio(fluoro)methane;4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid;[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 165073066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).