2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole

C115H108F4N24O8 — CID 158978108

About 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole

2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole (PubChem CID 158978108) has the molecular formula C115H108F4N24O8 and a molecular weight of 2030.28 g/mol. Its IUPAC name is 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole
• PubChem CID: 158978108
• Molecular Formula: C115H108F4N24O8
• Molecular Weight: 2030.28 g/mol
• Exact Mass: 2028.87
• IUPAC Name: 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole
• SMILES: COc1cccc(F)c1CN1CCC[C@@H](c2ncc(-c3ccc4[nH]nc(-c5ccc6nn(C)cc6c5)c4c3)o2)C1.COc1cccc(F)c1CN1CCC[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccc(O)c(NC(C)=O)c5)c4c3)o2)C1.C[C@@H]1C[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)CN(Cc2ccccc2F)C1.C[C@H]1C[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)CN(Cc2ccccc2F)C1
• InChI: InChI=1S/C31H29FN6O2.C30H29FN6O4.2C27H25FN6O/c1-37-16-22-13-20(9-10-26(22)36-37)30-23-14-19(8-11-27(23)34-35-30)29-15-33-31(40-29)21-5-4-12-38(17-21)18-24-25(32)6-3-7-28(24)39-2;1-17(38)32-25-14-18(9-11-26(25)39)28-21-13-19(8-10-24(21)33-34-28)29-35-36-30(41-29)20-5-4-12-37(15-20)16-22-23(31)6-3-7-27(22)40-2;2*1-17-12-21(16-34(14-17)15-20-4-2-3-5-23(20)28)27-33-32-26(35-27)19-6-7-24-22(13-19)25(31-30-24)18-8-10-29-11-9-18/h3,6-11,13-16,21H,4-5,12,17-18H2,1-2H3,(H,34,35);3,6-11,13-14,20,39H,4-5,12,15-16H2,1-2H3,(H,32,38)(H,33,34);2*2-11,13,17,21H,12,14-16H2,1H3,(H,30,31)/t21-;20-;17-,21+;17-,21-/m1101/s1
• InChIKey: JOQLSPDJEHCVSM-BATSHGFISA-N
• XLogP: 22.65
• TPSA: 381.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2030.28
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole?

The IUPAC name of 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole (CID 158978108) is 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole?

The canonical SMILES for 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole is COc1cccc(F)c1CN1CCC[C@@H](c2ncc(-c3ccc4[nH]nc(-c5ccc6nn(C)cc6c5)c4c3)o2)C1.COc1cccc(F)c1CN1CCC[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccc(O)c(NC(C)=O)c5)c4c3)o2)C1.C[C@@H]1C[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)CN(Cc2ccccc2F)C1.C[C@H]1C[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)CN(Cc2ccccc2F)C1.

What is the InChIKey of 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole?

The InChIKey is JOQLSPDJEHCVSM-BATSHGFISA-N. The full InChI is InChI=1S/C31H29FN6O2.C30H29FN6O4.2C27H25FN6O/c1-37-16-22-13-20(9-10-26(22)36-37)30-23-14-19(8-11-27(23)34-35-30)29-15-33-31(40-29)21-5-4-12-38(17-21)18-24-25(32)6-3-7-28(24)39-2;1-17(38)32-25-14-18(9-11-26(25)39)28-21-13-19(8-10-24(21)33-34-28)29-35-36-30(41-29)20-5-4-12-37(15-20)16-22-23(31)6-3-7-27(22)40-2;2*1-17-12-21(16-34(14-17)15-20-4-2-3-5-23(20)28)27-33-32-26(35-27)19-6-7-24-22(13-19)25(31-30-24)18-8-10-29-11-9-18/h3,6-11,13-16,21H,4-5,12,17-18H2,1-2H3,(H,34,35);3,6-11,13-14,20,39H,4-5,12,15-16H2,1-2H3,(H,32,38)(H,33,34);2*2-11,13,17,21H,12,14-16H2,1H3,(H,30,31)/t21-;20-;17-,21+;17-,21-/m1101/s1.

What are the key properties of 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole?

2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 2030.28 g/mol, XLogP of 22.65, 23 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;N-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-yl]-1H-indazol-3-yl]-2-hydroxyphenyl]acetamide;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5R)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 158978108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).