2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole

C25H17NO — CID 19044929

IUPAC2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C25H17NO/c1-2-8-18(9-3-1)19-14-16-20(17-15-19)21-10-4-5-11-22(21)25-26-23-12-6-7-13-24(23)27-25/h1-17H
InChIKeyJSVGCADSCLFRFL-UHFFFAOYSA-N
MW347.42 g/mol
LogP6.83
Rot. Bonds3

About 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole

2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole (PubChem CID 19044929) has the molecular formula C25H17NO and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
PubChem CID19044929
Molecular FormulaC25H17NO
Molecular Weight347.42 g/mol
Exact Mass347.13
IUPAC Name2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C25H17NO/c1-2-8-18(9-3-1)19-14-16-20(17-15-19)21-10-4-5-11-22(21)25-26-23-12-6-7-13-24(23)27-25/h1-17H
InChIKeyJSVGCADSCLFRFL-UHFFFAOYSA-N
XLogP6.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
CID 90680934
2-[2-(4-methylsulfonylphenyl)phenyl]-1,3-benzoxazole
CID 86302472
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[4-[4-[2-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenoxy]-2-phenylacetic acid
CID 68982927
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
CID 169047262
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole
CID 147547147
2-[9-(1,3-benzoxazol-2-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-1,3-benzoxazole
CID 148810325

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole (CID 19044929) is 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole is c1ccc(-c2ccc(-c3ccccc3-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole?
The InChIKey is JSVGCADSCLFRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO/c1-2-8-18(9-3-1)19-14-16-20(17-15-19)21-10-4-5-11-22(21)25-26-23-12-6-7-13-24(23)27-25/h1-17H.
What are the key properties of 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole?
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole has a molecular weight of 347.42 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 19044929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).