bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

C105H90Br4N18O15 — CID 162247841

About bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 162247841) has the molecular formula C105H90Br4N18O15 and a molecular weight of 2163.60 g/mol. Its IUPAC name is bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

• Compound Name: bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• PubChem CID: 162247841
• Molecular Formula: C105H90Br4N18O15
• Molecular Weight: 2163.60 g/mol
• Exact Mass: 2158.36
• IUPAC Name: bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• SMILES: C.COC(=O)c1noc2cc(Br)ccc12.COc1ccc(Cn2nc(N)c3ncccc32)cc1.COc1ccc(Cn2nc(Nc3ccc4c(COc5cccc(C)c5)noc4c3)c3ncccc32)cc1.Cc1cccc(OCc2noc3cc(Br)ccc23)c1.Cc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.OCc1noc2cc(Br)ccc12.OCc1noc2cc(Br)ccc12
• InChI: InChI=1S/C29H25N5O3.C21H17N5O2.C15H12BrNO2.C14H14N4O.C9H6BrNO3.2C8H6BrNO2.CH4/c1-19-5-3-6-23(15-19)36-18-25-24-13-10-21(16-27(24)37-33-25)31-29-28-26(7-4-14-30-28)34(32-29)17-20-8-11-22(35-2)12-9-20;1-13-4-2-5-15(10-13)27-12-18-16-8-7-14(11-19(16)28-26-18)23-21-20-17(24-25-21)6-3-9-22-20;1-10-3-2-4-12(7-10)18-9-14-13-6-5-11(16)8-15(13)19-17-14;1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-16-13(12)14(15)17-18;1-13-9(12)8-6-3-2-5(10)4-7(6)14-11-8;2*9-5-1-2-6-7(4-11)10-12-8(6)3-5;/h3-16H,17-18H2,1-2H3,(H,31,32);2-11H,12H2,1H3,(H2,23,24,25);2-8H,9H2,1H3;2-8H,9H2,1H3,(H2,15,17);2-4H,1H3;2*1-3,11H,4H2;1H4
• InChIKey: ZXOSEVCPJPHELL-UHFFFAOYSA-N
• XLogP: 24.72
• TPSA: 422.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2163.60
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The IUPAC name of bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 162247841) is bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

What is the SMILES notation for bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The canonical SMILES for bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is C.COC(=O)c1noc2cc(Br)ccc12.COc1ccc(Cn2nc(N)c3ncccc32)cc1.COc1ccc(Cn2nc(Nc3ccc4c(COc5cccc(C)c5)noc4c3)c3ncccc32)cc1.Cc1cccc(OCc2noc3cc(Br)ccc23)c1.Cc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.OCc1noc2cc(Br)ccc12.OCc1noc2cc(Br)ccc12.

What is the InChIKey of bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The InChIKey is ZXOSEVCPJPHELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O3.C21H17N5O2.C15H12BrNO2.C14H14N4O.C9H6BrNO3.2C8H6BrNO2.CH4/c1-19-5-3-6-23(15-19)36-18-25-24-13-10-21(16-27(24)37-33-25)31-29-28-26(7-4-14-30-28)34(32-29)17-20-8-11-22(35-2)12-9-20;1-13-4-2-5-15(10-13)27-12-18-16-8-7-14(11-19(16)28-26-18)23-21-20-17(24-25-21)6-3-9-22-20;1-10-3-2-4-12(7-10)18-9-14-13-6-5-11(16)8-15(13)19-17-14;1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-16-13(12)14(15)17-18;1-13-9(12)8-6-3-2-5(10)4-7(6)14-11-8;2*9-5-1-2-6-7(4-11)10-12-8(6)3-5;/h3-16H,17-18H2,1-2H3,(H,31,32);2-11H,12H2,1H3,(H2,23,24,25);2-8H,9H2,1H3;2-8H,9H2,1H3,(H2,15,17);2-4H,1H3;2*1-3,11H,4H2;1H4.

What are the key properties of bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 2163.60 g/mol, XLogP of 24.72, 22 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis((6-bromo-1,2-benzoxazol-3-yl)methanol);6-bromo-3-[(3-methylphenoxy)methyl]-1,2-benzoxazole;methane;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-[(3-methylphenoxy)methyl]-1,2-benzoxazol-6-amine;methyl 6-bromo-1,2-benzoxazole-3-carboxylate;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 162247841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).