2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

C138H135Br3N18O32 — CID 159319869

About 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 159319869) has the molecular formula C138H135Br3N18O32 and a molecular weight of 2797.40 g/mol. Its IUPAC name is 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
• PubChem CID: 159319869
• Molecular Formula: C138H135Br3N18O32
• Molecular Weight: 2797.40 g/mol
• Exact Mass: 2792.70
• IUPAC Name: 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
• SMILES: Brc1ccnc(Br)c1.C#CCCCCO.C#CCCCCOc1ccccc1[N+](=O)[O-].CCOC(=O)c1coc(-c2ccnc(C#CCCCCOc3ccccc3[N+](=O)[O-])c2)n1.CCOC(=O)c1cocn1.Nc1ccccc1OCCCCCCc1cc(-c2nc(C(=O)O)co2)ccn1.O=C(O)c1coc(-c2ccnc(C#CCCCCOc3ccccc3[N+](=O)[O-])c2)n1.O=C1Nc2ccccc2OCCCCCCc2cc(ccn2)-c2nc1co2.O=[N+]([O-])c1ccccc1O.O=[N+]([O-])c1ccccc1OCCCCC#Cc1cc(Br)ccn1
• InChI: InChI=1S/C23H21N3O6.C21H17N3O6.C21H23N3O4.C21H21N3O3.C17H15BrN2O3.C12H13NO3.C6H7NO3.C6H5NO3.C6H10O.C5H3Br2N/c1-2-30-23(27)19-16-32-22(25-19)17-12-13-24-18(15-17)9-5-3-4-8-14-31-21-11-7-6-10-20(21)26(28)29;25-21(26)17-14-30-20(23-17)15-10-11-22-16(13-15)7-3-1-2-6-12-29-19-9-5-4-8-18(19)24(27)28;22-17-8-4-5-9-19(17)27-12-6-2-1-3-7-16-13-15(10-11-23-16)20-24-18(14-28-20)21(25)26;25-20-18-14-27-21(24-18)15-10-11-22-16(13-15)7-3-1-2-6-12-26-19-9-5-4-8-17(19)23-20;18-14-10-11-19-15(13-14)7-3-1-2-6-12-23-17-9-5-4-8-16(17)20(21)22;1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15;1-2-10-6(8)5-3-9-4-7-5;8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6-7;6-4-1-2-8-5(7)3-4/h6-7,10-13,15-16H,2-4,8,14H2,1H3;4-5,8-11,13-14H,1-2,6,12H2,(H,25,26);4-5,8-11,13-14H,1-3,6-7,12,22H2,(H,25,26);4-5,8-11,13-14H,1-3,6-7,12H2,(H,23,25);4-5,8-11,13H,1-2,6,12H2;1,5-6,8-9H,3-4,7,10H2;3-4H,2H2,1H3;1-4,8H;1,7H,3-6H2;1-3H
• InChIKey: LDPVUNWIMQOTSX-UHFFFAOYSA-N
• XLogP: 29.72
• TPSA: 701.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 45
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2797.40
LogP ≤ 5	29.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?

The IUPAC name of 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (CID 159319869) is 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.

What is the SMILES notation for 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?

The canonical SMILES for 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is Brc1ccnc(Br)c1.C#CCCCCO.C#CCCCCOc1ccccc1[N+](=O)[O-].CCOC(=O)c1coc(-c2ccnc(C#CCCCCOc3ccccc3[N+](=O)[O-])c2)n1.CCOC(=O)c1cocn1.Nc1ccccc1OCCCCCCc1cc(-c2nc(C(=O)O)co2)ccn1.O=C(O)c1coc(-c2ccnc(C#CCCCCOc3ccccc3[N+](=O)[O-])c2)n1.O=C1Nc2ccccc2OCCCCCCc2cc(ccn2)-c2nc1co2.O=[N+]([O-])c1ccccc1O.O=[N+]([O-])c1ccccc1OCCCCC#Cc1cc(Br)ccn1.

What is the InChIKey of 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?

The InChIKey is LDPVUNWIMQOTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6.C21H17N3O6.C21H23N3O4.C21H21N3O3.C17H15BrN2O3.C12H13NO3.C6H7NO3.C6H5NO3.C6H10O.C5H3Br2N/c1-2-30-23(27)19-16-32-22(25-19)17-12-13-24-18(15-17)9-5-3-4-8-14-31-21-11-7-6-10-20(21)26(28)29;25-21(26)17-14-30-20(23-17)15-10-11-22-16(13-15)7-3-1-2-6-12-29-19-9-5-4-8-18(19)24(27)28;22-17-8-4-5-9-19(17)27-12-6-2-1-3-7-16-13-15(10-11-23-16)20-24-18(14-28-20)21(25)26;25-20-18-14-27-21(24-18)15-10-11-22-16(13-15)7-3-1-2-6-12-26-19-9-5-4-8-17(19)23-20;18-14-10-11-19-15(13-14)7-3-1-2-6-12-23-17-9-5-4-8-16(17)20(21)22;1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15;1-2-10-6(8)5-3-9-4-7-5;8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6-7;6-4-1-2-8-5(7)3-4/h6-7,10-13,15-16H,2-4,8,14H2,1H3;4-5,8-11,13-14H,1-2,6,12H2,(H,25,26);4-5,8-11,13-14H,1-3,6-7,12,22H2,(H,25,26);4-5,8-11,13-14H,1-3,6-7,12H2,(H,23,25);4-5,8-11,13H,1-2,6,12H2;1,5-6,8-9H,3-4,7,10H2;3-4H,2H2,1H3;1-4,8H;1,7H,3-6H2;1-3H.

What are the key properties of 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?

2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 2797.40 g/mol, XLogP of 29.72, 45 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-(2-aminophenoxy)hexyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;4-bromo-2-[6-(2-nitrophenoxy)hex-1-ynyl]pyridine;2,4-dibromopyridine;3,14-dioxa-7,22,26-triazatetracyclo[19.3.1.12,5.08,13]hexacosa-1(25),2(26),4,8,10,12,21,23-octaen-6-one;ethyl 2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylate;ethyl 1,3-oxazole-4-carboxylate;hex-5-yn-1-ol;1-hex-5-ynoxy-2-nitrobenzene;2-nitrophenol;2-[2-[6-(2-nitrophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 159319869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).