2-(Biphenyl-4-yl)-5-phenyloxazole

C21H15NO — CID 96728

IUPAC5-phenyl-2-(4-phenylphenyl)-1,3-oxazole
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(O3)C4=CC=CC=C4
InChIInChI=1S/C21H15NO/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-22-15-20(23-21)18-9-5-2-6-10-18/h1-15H
InChIKeyRQGVWYIZAUHBBE-UHFFFAOYSA-N
MW297.30 g/mol
LogP6.30
Rot. Bonds3

About 2-(Biphenyl-4-yl)-5-phenyloxazole

2-(Biphenyl-4-yl)-5-phenyloxazole (PubChem CID 96728) has the molecular formula C21H15NO and a molecular weight of 297.30 g/mol. Its IUPAC name is 5-phenyl-2-(4-phenylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(Biphenyl-4-yl)-5-phenyloxazole
PubChem CID96728
Molecular FormulaC21H15NO
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name5-phenyl-2-(4-phenylphenyl)-1,3-oxazole
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(O3)C4=CC=CC=C4
InChIInChI=1S/C21H15NO/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-22-15-20(23-21)18-9-5-2-6-10-18/h1-15H
InChIKeyRQGVWYIZAUHBBE-UHFFFAOYSA-N
XLogP6.30
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity351

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.30
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

OL-135
CID 10427006
1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Diphenyloxazole
CID 7105
2,5-Bis(4-biphenylyl)oxazole
CID 95231
2-(5-Phenyl-2-oxazolyl)benzoic acid
CID 555391
2-(1-Naphthyl)-5-phenyloxazole
CID 70058
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
2-(2-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259756
4-(5-Phenyl-1,3-oxazol-2-yl)aniline
CID 854968
2-[5-(4-Methylphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 7131003
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
2-(4-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259758

Frequently Asked Questions

What is the IUPAC name of 2-(Biphenyl-4-yl)-5-phenyloxazole?
The IUPAC name of 2-(Biphenyl-4-yl)-5-phenyloxazole (CID 96728) is 5-phenyl-2-(4-phenylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(Biphenyl-4-yl)-5-phenyloxazole?
The canonical SMILES for 2-(Biphenyl-4-yl)-5-phenyloxazole is C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(O3)C4=CC=CC=C4.
What is the InChIKey of 2-(Biphenyl-4-yl)-5-phenyloxazole?
The InChIKey is RQGVWYIZAUHBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-22-15-20(23-21)18-9-5-2-6-10-18/h1-15H.
What are the key properties of 2-(Biphenyl-4-yl)-5-phenyloxazole?
2-(Biphenyl-4-yl)-5-phenyloxazole has a molecular weight of 297.30 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Biphenyl-4-yl)-5-phenyloxazole is sourced from PubChem (CID 96728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).