2,5-Bis(4-biphenylyl)oxazole

C27H19NO — CID 95231

IUPAC2,5-bis(4-phenylphenyl)-1,3-oxazole
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)C5=CC=CC=C5
InChIInChI=1S/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H
InChIKeyDDZJGFHXUOWOSL-UHFFFAOYSA-N
MW373.40 g/mol
LogP7.90
Rot. Bonds4

About 2,5-Bis(4-biphenylyl)oxazole

2,5-Bis(4-biphenylyl)oxazole (PubChem CID 95231) has the molecular formula C27H19NO and a molecular weight of 373.40 g/mol. Its IUPAC name is 2,5-bis(4-phenylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2,5-Bis(4-biphenylyl)oxazole
PubChem CID95231
Molecular FormulaC27H19NO
Molecular Weight373.40 g/mol
Exact Mass373.15
IUPAC Name2,5-bis(4-phenylphenyl)-1,3-oxazole
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)C5=CC=CC=C5
InChIInChI=1S/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H
InChIKeyDDZJGFHXUOWOSL-UHFFFAOYSA-N
XLogP7.90
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity479

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.40
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-Bis(4-biphenylyl)oxazole?
The IUPAC name of 2,5-Bis(4-biphenylyl)oxazole (CID 95231) is 2,5-bis(4-phenylphenyl)-1,3-oxazole.
What is the SMILES notation for 2,5-Bis(4-biphenylyl)oxazole?
The canonical SMILES for 2,5-Bis(4-biphenylyl)oxazole is C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)C5=CC=CC=C5.
What is the InChIKey of 2,5-Bis(4-biphenylyl)oxazole?
The InChIKey is DDZJGFHXUOWOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H.
What are the key properties of 2,5-Bis(4-biphenylyl)oxazole?
2,5-Bis(4-biphenylyl)oxazole has a molecular weight of 373.40 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-Bis(4-biphenylyl)oxazole is sourced from PubChem (CID 95231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).