2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole

C57H45N3O6 — CID 135032438

About 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole

2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole (PubChem CID 135032438) has the molecular formula C57H45N3O6 and a molecular weight of 868.00 g/mol. Its IUPAC name is 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole
• PubChem CID: 135032438
• Molecular Formula: C57H45N3O6
• Molecular Weight: 868.00 g/mol
• Exact Mass: 867.33
• IUPAC Name: 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole
• SMILES: Cc1c(COc2ccc(-c3cnc(-c4ccccc4)o3)cc2)c(C)c(COc2ccc(-c3cnc(-c4ccccc4)o3)cc2)c(C)c1COc1ccc(-c2cnc(-c3ccccc3)o2)cc1
• InChI: InChI=1S/C57H45N3O6/c1-37-49(34-61-46-25-19-40(20-26-46)52-31-58-55(64-52)43-13-7-4-8-14-43)38(2)51(36-63-48-29-23-42(24-30-48)54-33-60-57(66-54)45-17-11-6-12-18-45)39(3)50(37)35-62-47-27-21-41(22-28-47)53-32-59-56(65-53)44-15-9-5-10-16-44/h4-33H,34-36H2,1-3H3
• InChIKey: WUATXDJNBHVQCA-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 105.78 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.00
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole?

The IUPAC name of 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole (CID 135032438) is 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole.

What is the SMILES notation for 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole?

The canonical SMILES for 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole is Cc1c(COc2ccc(-c3cnc(-c4ccccc4)o3)cc2)c(C)c(COc2ccc(-c3cnc(-c4ccccc4)o3)cc2)c(C)c1COc1ccc(-c2cnc(-c3ccccc3)o2)cc1.

What is the InChIKey of 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole?

The InChIKey is WUATXDJNBHVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N3O6/c1-37-49(34-61-46-25-19-40(20-26-46)52-31-58-55(64-52)43-13-7-4-8-14-43)38(2)51(36-63-48-29-23-42(24-30-48)54-33-60-57(66-54)45-17-11-6-12-18-45)39(3)50(37)35-62-47-27-21-41(22-28-47)53-32-59-56(65-53)44-15-9-5-10-16-44/h4-33H,34-36H2,1-3H3.

What are the key properties of 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole?

2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole has a molecular weight of 868.00 g/mol, XLogP of 14.31, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole is sourced from PubChem (CID 135032438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).