[5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole

C74H67Cl6F3N16O7S — CID 160894235

About [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole

[5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole (PubChem CID 160894235) has the molecular formula C74H67Cl6F3N16O7S and a molecular weight of 1594.23 g/mol. Its IUPAC name is [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole
• PubChem CID: 160894235
• Molecular Formula: C74H67Cl6F3N16O7S
• Molecular Weight: 1594.23 g/mol
• Exact Mass: 1590.32
• IUPAC Name: [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole
• SMILES: Clc1ccc(N2CCN(c3noc4ccccc34)CC2)c(Cl)c1.Clc1cccnc1N1CCN(c2nsc3ccccc23)CC1.O=C(O)c1cnc(N2CC3CCC(C2)N3c2noc3cccc(C(F)(F)F)c23)c(Cl)c1.O=C(c1cnc(N2CCN(c3noc4cccc(Cl)c34)CC2)c(Cl)c1)N1CCOCC1
• InChI: InChI=1S/C21H21Cl2N5O3.C20H16ClF3N4O3.C17H15Cl2N3O.C16H15ClN4S/c22-15-2-1-3-17-18(15)20(25-31-17)27-6-4-26(5-7-27)19-16(23)12-14(13-24-19)21(29)28-8-10-30-11-9-28;21-14-6-10(19(29)30)7-25-17(14)27-8-11-4-5-12(9-27)28(11)18-16-13(20(22,23)24)2-1-3-15(16)31-26-18;18-12-5-6-15(14(19)11-12)21-7-9-22(10-8-21)17-13-3-1-2-4-16(13)23-20-17;17-13-5-3-7-18-16(13)21-10-8-20(9-11-21)15-12-4-1-2-6-14(12)22-19-15/h1-3,12-13H,4-11H2;1-3,6-7,11-12H,4-5,8-9H2,(H,29,30);1-6,11H,7-10H2;1-7H,8-11H2
• InChIKey: SOQUTXDZWYUEJF-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 222.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.23
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	1
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]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole?

The IUPAC name of [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole (CID 160894235) is [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole.

What is the SMILES notation for [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole?

The canonical SMILES for [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole is Clc1ccc(N2CCN(c3noc4ccccc34)CC2)c(Cl)c1.Clc1cccnc1N1CCN(c2nsc3ccccc23)CC1.O=C(O)c1cnc(N2CC3CCC(C2)N3c2noc3cccc(C(F)(F)F)c23)c(Cl)c1.O=C(c1cnc(N2CCN(c3noc4cccc(Cl)c34)CC2)c(Cl)c1)N1CCOCC1.

What is the InChIKey of [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole?

The InChIKey is SOQUTXDZWYUEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O3.C20H16ClF3N4O3.C17H15Cl2N3O.C16H15ClN4S/c22-15-2-1-3-17-18(15)20(25-31-17)27-6-4-26(5-7-27)19-16(23)12-14(13-24-19)21(29)28-8-10-30-11-9-28;21-14-6-10(19(29)30)7-25-17(14)27-8-11-4-5-12(9-27)28(11)18-16-13(20(22,23)24)2-1-3-15(16)31-26-18;18-12-5-6-15(14(19)11-12)21-7-9-22(10-8-21)17-13-3-1-2-4-16(13)23-20-17;17-13-5-3-7-18-16(13)21-10-8-20(9-11-21)15-12-4-1-2-6-14(12)22-19-15/h1-3,12-13H,4-11H2;1-3,6-7,11-12H,4-5,8-9H2,(H,29,30);1-6,11H,7-10H2;1-7H,8-11H2.

What are the key properties of [5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole?

[5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole has a molecular weight of 1594.23 g/mol, XLogP of 15.91, 10 rotatable bonds, 1 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]-3-pyridinyl]-morpholin-4-ylmethanone;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzothiazole;5-chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid;3-[4-(2,4-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole is sourced from PubChem (CID 160894235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).