6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole

C25H16BrNO — CID 170716750

IUPAC6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
SMILESBrc1ccc(-c2ccc(-c3ccc4nc(-c5ccccc5)oc4c3)cc2)cc1
InChIInChI=1S/C25H16BrNO/c26-22-13-10-18(11-14-22)17-6-8-19(9-7-17)21-12-15-23-24(16-21)28-25(27-23)20-4-2-1-3-5-20/h1-16H
InChIKeyQMLGRXSFXOICMH-UHFFFAOYSA-N
MW426.31 g/mol
LogP7.59
Rot. Bonds3

About 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole

6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 170716750) has the molecular formula C25H16BrNO and a molecular weight of 426.31 g/mol. Its IUPAC name is 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
PubChem CID170716750
Molecular FormulaC25H16BrNO
Molecular Weight426.31 g/mol
Exact Mass425.04
IUPAC Name6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
SMILESBrc1ccc(-c2ccc(-c3ccc4nc(-c5ccccc5)oc4c3)cc2)cc1
InChIInChI=1S/C25H16BrNO/c26-22-13-10-18(11-14-22)17-6-8-19(9-7-17)21-12-15-23-24(16-21)28-25(27-23)20-4-2-1-3-5-20/h1-16H
InChIKeyQMLGRXSFXOICMH-UHFFFAOYSA-N
XLogP7.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-2-[4-[(E)-2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 23146226
6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 68836717
N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline
CID 170716724
2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 153310091
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
2-(4-bromophenyl)-6-iodo-1,3-benzoxazole
CID 172702567
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
CID 147790794
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine
CID 163575240
7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole
CID 118256764
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole (CID 170716750) is 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole is Brc1ccc(-c2ccc(-c3ccc4nc(-c5ccccc5)oc4c3)cc2)cc1.
What is the InChIKey of 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is QMLGRXSFXOICMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrNO/c26-22-13-10-18(11-14-22)17-6-8-19(9-7-17)21-12-15-23-24(16-21)28-25(27-23)20-4-2-1-3-5-20/h1-16H.
What are the key properties of 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole?
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 426.31 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 170716750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).