2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole

C61H37N9O8 — CID 102514034

IUPAC2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cc(Oc4ccc5oc(-c6cccc(-c7nc8cc(Oc9cc(-c%10nc%11cc(C)ccc%11o%10)nc(-c%10nc%11cc(C)ccc%11o%10)c9)ccc8o7)n6)nc5c4)cc(-c4nc5cc(C)ccc5o4)n3)nc2c1
InChIInChI=1S/C61H37N9O8/c1-30-8-14-50-40(20-30)65-58(75-50)46-26-36(27-47(63-46)59-66-41-21-31(2)9-15-51(41)76-59)71-34-12-18-54-44(24-34)69-56(73-54)38-6-5-7-39(62-38)57-70-45-25-35(13-19-55(45)74-57)72-37-28-48(60-67-42-22-32(3)10-16-52(42)77-60)64-49(29-37)61-68-43-23-33(4)11-17-53(43)78-61/h5-29H,1-4H3
InChIKeyXROBLTKGYHSDHW-UHFFFAOYSA-N
MW1024.02 g/mol
LogP15.54
Rot. Bonds10

About 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole

2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole (PubChem CID 102514034) has the molecular formula C61H37N9O8 and a molecular weight of 1024.02 g/mol. Its IUPAC name is 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole
PubChem CID102514034
Molecular FormulaC61H37N9O8
Molecular Weight1024.02 g/mol
Exact Mass1023.28
IUPAC Name2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cc(Oc4ccc5oc(-c6cccc(-c7nc8cc(Oc9cc(-c%10nc%11cc(C)ccc%11o%10)nc(-c%10nc%11cc(C)ccc%11o%10)c9)ccc8o7)n6)nc5c4)cc(-c4nc5cc(C)ccc5o4)n3)nc2c1
InChIInChI=1S/C61H37N9O8/c1-30-8-14-50-40(20-30)65-58(75-50)46-26-36(27-47(63-46)59-66-41-21-31(2)9-15-51(41)76-59)71-34-12-18-54-44(24-34)69-56(73-54)38-6-5-7-39(62-38)57-70-45-25-35(13-19-55(45)74-57)72-37-28-48(60-67-42-22-32(3)10-16-52(42)77-60)64-49(29-37)61-68-43-23-33(4)11-17-53(43)78-61/h5-29H,1-4H3
InChIKeyXROBLTKGYHSDHW-UHFFFAOYSA-N
XLogP15.54
TPSA213.31 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.02
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
5-methyl-2-(1,10-phenanthrolin-2-yl)-1,3-benzoxazole
CID 102035737
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
CID 102448915
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 115411925

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole (CID 102514034) is 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole is Cc1ccc2oc(-c3cc(Oc4ccc5oc(-c6cccc(-c7nc8cc(Oc9cc(-c%10nc%11cc(C)ccc%11o%10)nc(-c%10nc%11cc(C)ccc%11o%10)c9)ccc8o7)n6)nc5c4)cc(-c4nc5cc(C)ccc5o4)n3)nc2c1.
What is the InChIKey of 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole?
The InChIKey is XROBLTKGYHSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N9O8/c1-30-8-14-50-40(20-30)65-58(75-50)46-26-36(27-47(63-46)59-66-41-21-31(2)9-15-51(41)76-59)71-34-12-18-54-44(24-34)69-56(73-54)38-6-5-7-39(62-38)57-70-45-25-35(13-19-55(45)74-57)72-37-28-48(60-67-42-22-32(3)10-16-52(42)77-60)64-49(29-37)61-68-43-23-33(4)11-17-53(43)78-61/h5-29H,1-4H3.
What are the key properties of 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole?
2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole has a molecular weight of 1024.02 g/mol, XLogP of 15.54, 10 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[6-[5-[[2,6-bis(5-methyl-1,3-benzoxazol-2-yl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]-2-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-6-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridinyl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 102514034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).