2-(4-Biphenyl)-6-phenylbenzoxazole

C25H17NO — CID 86930

IUPAC6-phenyl-2-(4-phenylphenyl)-1,3-benzoxazole
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)C5=CC=CC=C5
InChIInChI=1S/C25H17NO/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)25-26-23-16-15-22(17-24(23)27-25)19-9-5-2-6-10-19/h1-17H
InChIKeyWISWLZYHZLVSMO-UHFFFAOYSA-N
MW347.40 g/mol
LogP6.70
Rot. Bonds3

About 2-(4-Biphenyl)-6-phenylbenzoxazole

2-(4-Biphenyl)-6-phenylbenzoxazole (PubChem CID 86930) has the molecular formula C25H17NO and a molecular weight of 347.40 g/mol. Its IUPAC name is 6-phenyl-2-(4-phenylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-Biphenyl)-6-phenylbenzoxazole
PubChem CID86930
Molecular FormulaC25H17NO
Molecular Weight347.40 g/mol
Exact Mass347.13
IUPAC Name6-phenyl-2-(4-phenylphenyl)-1,3-benzoxazole
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)C5=CC=CC=C5
InChIInChI=1S/C25H17NO/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)25-26-23-16-15-22(17-24(23)27-25)19-9-5-2-6-10-19/h1-17H
InChIKeyWISWLZYHZLVSMO-UHFFFAOYSA-N
XLogP6.70
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity459

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.40
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Biphenyl)-6-phenylbenzoxazole?
The IUPAC name of 2-(4-Biphenyl)-6-phenylbenzoxazole (CID 86930) is 6-phenyl-2-(4-phenylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-Biphenyl)-6-phenylbenzoxazole?
The canonical SMILES for 2-(4-Biphenyl)-6-phenylbenzoxazole is C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)C5=CC=CC=C5.
What is the InChIKey of 2-(4-Biphenyl)-6-phenylbenzoxazole?
The InChIKey is WISWLZYHZLVSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)25-26-23-16-15-22(17-24(23)27-25)19-9-5-2-6-10-19/h1-17H.
What are the key properties of 2-(4-Biphenyl)-6-phenylbenzoxazole?
2-(4-Biphenyl)-6-phenylbenzoxazole has a molecular weight of 347.40 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Biphenyl)-6-phenylbenzoxazole is sourced from PubChem (CID 86930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).