5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid

C68H60Cl7N15O9 — CID 158695383

About 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 158695383) has the molecular formula C68H60Cl7N15O9 and a molecular weight of 1479.49 g/mol. Its IUPAC name is 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 158695383
• Molecular Formula: C68H60Cl7N15O9
• Molecular Weight: 1479.49 g/mol
• Exact Mass: 1475.25
• IUPAC Name: 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid
• SMILES: COc1cccc2onc(N3CCN(c4ncc(C(=O)O)cc4Cl)CC3)c12.Clc1ccccc1N1CCN(c2noc3cccc(Cl)c23)CC1.Clc1cccnc1N1CCN(c2noc3cccc(Cl)c23)CC1.O=C(O)c1cnc(N2CCN(c3noc4cccc(Cl)c34)CC2)c(Cl)c1
• InChI: InChI=1S/C18H17ClN4O4.C17H14Cl2N4O3.C17H15Cl2N3O.C16H14Cl2N4O/c1-26-13-3-2-4-14-15(13)17(21-27-14)23-7-5-22(6-8-23)16-12(19)9-11(10-20-16)18(24)25;18-11-2-1-3-13-14(11)16(21-26-13)23-6-4-22(5-7-23)15-12(19)8-10(9-20-15)17(24)25;18-12-4-1-2-6-14(12)21-8-10-22(11-9-21)17-16-13(19)5-3-7-15(16)23-20-17;17-11-3-1-5-13-14(11)16(20-23-13)22-9-7-21(8-10-22)15-12(18)4-2-6-19-15/h2-4,9-10H,5-8H2,1H3,(H,24,25);1-3,8-9H,4-7H2,(H,24,25);1-7H,8-11H2;1-6H,7-10H2
• InChIKey: IGWIHNRRGQFSAS-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 252.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1479.49
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 158695383) is 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid is COc1cccc2onc(N3CCN(c4ncc(C(=O)O)cc4Cl)CC3)c12.Clc1ccccc1N1CCN(c2noc3cccc(Cl)c23)CC1.Clc1cccnc1N1CCN(c2noc3cccc(Cl)c23)CC1.O=C(O)c1cnc(N2CCN(c3noc4cccc(Cl)c34)CC2)c(Cl)c1.

What is the InChIKey of 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is IGWIHNRRGQFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4.C17H14Cl2N4O3.C17H15Cl2N3O.C16H14Cl2N4O/c1-26-13-3-2-4-14-15(13)17(21-27-14)23-7-5-22(6-8-23)16-12(19)9-11(10-20-16)18(24)25;18-11-2-1-3-13-14(11)16(21-26-13)23-6-4-22(5-7-23)15-12(19)8-10(9-20-15)17(24)25;18-12-4-1-2-6-14(12)21-8-10-22(11-9-21)17-16-13(19)5-3-7-15(16)23-20-17;17-11-3-1-5-13-14(11)16(20-23-13)22-9-7-21(8-10-22)15-12(18)4-2-6-19-15/h2-4,9-10H,5-8H2,1H3,(H,24,25);1-3,8-9H,4-7H2,(H,24,25);1-7H,8-11H2;1-6H,7-10H2.

What are the key properties of 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid?

5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 1479.49 g/mol, XLogP of 14.78, 11 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;4-chloro-3-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;4-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-(4-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 158695383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).