3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole

C70H62Cl8N16O9 — CID 159728272

About 3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole

3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole (PubChem CID 159728272) has the molecular formula C70H62Cl8N16O9 and a molecular weight of 1554.99 g/mol. Its IUPAC name is 3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole
• PubChem CID: 159728272
• Molecular Formula: C70H62Cl8N16O9
• Molecular Weight: 1554.99 g/mol
• Exact Mass: 1550.24
• IUPAC Name: 3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole
• SMILES: CN(C)C(=O)c1cnc(N2CCN(c3noc4cccc(Cl)c34)CC2)c(Cl)c1.Clc1ccc2onc(N3CCN(c4ncccc4Cl)CC3)c2c1.O=C(O)c1ccc(N2CCN(c3noc4cccc(Cl)c34)CC2)c(Cl)c1.O=C(O)c1cnc(N2CCN(c3noc4ccc(Cl)cc34)CC2)c(Cl)c1
• InChI: InChI=1S/C19H19Cl2N5O2.C18H15Cl2N3O3.C17H14Cl2N4O3.C16H14Cl2N4O/c1-24(2)19(27)12-10-14(21)17(22-11-12)25-6-8-26(9-7-25)18-16-13(20)4-3-5-15(16)28-23-18;19-12-2-1-3-15-16(12)17(21-26-15)23-8-6-22(7-9-23)14-5-4-11(18(24)25)10-13(14)20;18-11-1-2-14-12(8-11)15(21-26-14)22-3-5-23(6-4-22)16-13(19)7-10(9-20-16)17(24)25;17-11-3-4-14-12(10-11)15(20-23-14)21-6-8-22(9-7-21)16-13(18)2-1-5-19-16/h3-5,10-11H,6-9H2,1-2H3;1-5,10H,6-9H2,(H,24,25);1-2,7-9H,3-6H2,(H,24,25);1-5,10H,6-9H2
• InChIKey: NAXFPXKRCDLPDY-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 263.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1554.99
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole (CID 159728272) is 3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole.

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

The canonical SMILES for 3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole is CN(C)C(=O)c1cnc(N2CCN(c3noc4cccc(Cl)c34)CC2)c(Cl)c1.Clc1ccc2onc(N3CCN(c4ncccc4Cl)CC3)c2c1.O=C(O)c1ccc(N2CCN(c3noc4cccc(Cl)c34)CC2)c(Cl)c1.O=C(O)c1cnc(N2CCN(c3noc4ccc(Cl)cc34)CC2)c(Cl)c1.

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

The InChIKey is NAXFPXKRCDLPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2.C18H15Cl2N3O3.C17H14Cl2N4O3.C16H14Cl2N4O/c1-24(2)19(27)12-10-14(21)17(22-11-12)25-6-8-26(9-7-25)18-16-13(20)4-3-5-15(16)28-23-18;19-12-2-1-3-15-16(12)17(21-26-15)23-8-6-22(7-9-23)14-5-4-11(18(24)25)10-13(14)20;18-11-1-2-14-12(8-11)15(21-26-14)22-3-5-23(6-4-22)16-13(19)7-10(9-20-16)17(24)25;17-11-3-4-14-12(10-11)15(20-23-14)21-6-8-22(9-7-21)16-13(18)2-1-5-19-16/h3-5,10-11H,6-9H2,1-2H3;1-5,10H,6-9H2,(H,24,25);1-2,7-9H,3-6H2,(H,24,25);1-5,10H,6-9H2.

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

3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole has a molecular weight of 1554.99 g/mol, XLogP of 15.13, 11 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole is sourced from PubChem (CID 159728272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).