2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole

C54H34N4O4 — CID 70626647

About 2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole

2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole (PubChem CID 70626647) has the molecular formula C54H34N4O4 and a molecular weight of 802.89 g/mol. Its IUPAC name is 2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
• PubChem CID: 70626647
• Molecular Formula: C54H34N4O4
• Molecular Weight: 802.89 g/mol
• Exact Mass: 802.26
• IUPAC Name: 2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
• SMILES: c1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccccc5)o4)c(-c4ccc(-c5cc(-c6ncc(-c7ccccc7)o6)ccc5-c5ncc(-c6ccccc6)o5)cc4)c3)o2)cc1
• InChI: InChI=1S/C54H34N4O4/c1-5-13-37(14-6-1)47-31-55-51(59-47)41-25-27-43(53-57-33-49(61-53)39-17-9-3-10-18-39)45(29-41)35-21-23-36(24-22-35)46-30-42(52-56-32-48(60-52)38-15-7-2-8-16-38)26-28-44(46)54-58-34-50(62-54)40-19-11-4-12-20-40/h1-34H
• InChIKey: USKSHHDYGOILLQ-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 104.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.89
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole (CID 70626647) is 2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole.

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

The canonical SMILES for 2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole is c1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccccc5)o4)c(-c4ccc(-c5cc(-c6ncc(-c7ccccc7)o6)ccc5-c5ncc(-c6ccccc6)o5)cc4)c3)o2)cc1.

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

The InChIKey is USKSHHDYGOILLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O4/c1-5-13-37(14-6-1)47-31-55-51(59-47)41-25-27-43(53-57-33-49(61-53)39-17-9-3-10-18-39)45(29-41)35-21-23-36(24-22-35)46-30-42(52-56-32-48(60-52)38-15-7-2-8-16-38)26-28-44(46)54-58-34-50(62-54)40-19-11-4-12-20-40/h1-34H.

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

2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole has a molecular weight of 802.89 g/mol, XLogP of 14.31, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2,5-bis(5-phenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 70626647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).