4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid

C107H106Cl8N16O12 — CID 164997932

About 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid

4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid (PubChem CID 164997932) has the molecular formula C107H106Cl8N16O12 and a molecular weight of 2091.75 g/mol. Its IUPAC name is 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid
• PubChem CID: 164997932
• Molecular Formula: C107H106Cl8N16O12
• Molecular Weight: 2091.75 g/mol
• Exact Mass: 2086.57
• IUPAC Name: 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid
• SMILES: Cn1cc(C(=O)O)c2ccc(N3CCN(CCc4c(-c5ccc(Cl)cc5Cl)noc4C4CC4)CC3)cc21.Cn1nc(C(=O)O)c2ccc(N3CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21.O=C(O)c1c[nH]c2cc(N3CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)ccc12.O=C(O)c1ccc(N2CCN(CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1
• InChI: InChI=1S/C28H28Cl2N4O3.C27H27Cl2N5O3.C27H26Cl2N4O3.C25H25Cl2N3O3/c1-32-16-23(28(35)36)20-7-5-19(15-25(20)32)34-12-10-33(11-13-34)9-8-22-26(31-37-27(22)17-2-3-17)21-6-4-18(29)14-24(21)30;1-32-22-15-17(7-8-18(22)25(30-32)27(35)36)34-13-11-33(12-14-34)10-9-19-24(31-37-26(19)16-5-6-16)23-20(28)3-2-4-21(23)29;28-21-2-1-3-22(29)24(21)25-19(26(36-31-25)16-4-5-16)8-9-32-10-12-33(13-11-32)17-6-7-18-20(27(34)35)15-30-23(18)14-17;26-20-2-1-3-21(27)22(20)23-19(24(33-28-23)16-4-5-16)10-11-29-12-14-30(15-13-29)18-8-6-17(7-9-18)25(31)32/h4-7,14-17H,2-3,8-13H2,1H3,(H,35,36);2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,35,36);1-3,6-7,14-16,30H,4-5,8-13H2,(H,34,35);1-3,6-9,16H,4-5,10-15H2,(H,31,32)
• InChIKey: HUVRKDMOFLJOEF-UHFFFAOYSA-N
• XLogP: 23.21
• TPSA: 317.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2091.75
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid?

The IUPAC name of 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid (CID 164997932) is 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid.

What is the SMILES notation for 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid?

The canonical SMILES for 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid is Cn1cc(C(=O)O)c2ccc(N3CCN(CCc4c(-c5ccc(Cl)cc5Cl)noc4C4CC4)CC3)cc21.Cn1nc(C(=O)O)c2ccc(N3CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21.O=C(O)c1c[nH]c2cc(N3CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)ccc12.O=C(O)c1ccc(N2CCN(CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1.

What is the InChIKey of 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid?

The InChIKey is HUVRKDMOFLJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O3.C27H27Cl2N5O3.C27H26Cl2N4O3.C25H25Cl2N3O3/c1-32-16-23(28(35)36)20-7-5-19(15-25(20)32)34-12-10-33(11-13-34)9-8-22-26(31-37-27(22)17-2-3-17)21-6-4-18(29)14-24(21)30;1-32-22-15-17(7-8-18(22)25(30-32)27(35)36)34-13-11-33(12-14-34)10-9-19-24(31-37-26(19)16-5-6-16)23-20(28)3-2-4-21(23)29;28-21-2-1-3-22(29)24(21)25-19(26(36-31-25)16-4-5-16)8-9-32-10-12-33(13-11-32)17-6-7-18-20(27(34)35)15-30-23(18)14-17;26-20-2-1-3-21(27)22(20)23-19(24(33-28-23)16-4-5-16)10-11-29-12-14-30(15-13-29)18-8-6-17(7-9-18)25(31)32/h4-7,14-17H,2-3,8-13H2,1H3,(H,35,36);2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,35,36);1-3,6-7,14-16,30H,4-5,8-13H2,(H,34,35);1-3,6-9,16H,4-5,10-15H2,(H,31,32).

What are the key properties of 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid?

4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid has a molecular weight of 2091.75 g/mol, XLogP of 23.21, 28 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 164997932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).