2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole

C26H14Br2N2O2 — CID 129148229

IUPAC2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole
SMILESBrc1cc(Br)cc(-c2cc(-c3nc4ccccc4o3)cc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C26H14Br2N2O2/c27-19-12-16(13-20(28)14-19)15-9-17(25-29-21-5-1-3-7-23(21)31-25)11-18(10-15)26-30-22-6-2-4-8-24(22)32-26/h1-14H
InChIKeyWHJVLBIRXHUISW-UHFFFAOYSA-N
MW546.22 g/mol
LogP8.49
Rot. Bonds3

About 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole

2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole (PubChem CID 129148229) has the molecular formula C26H14Br2N2O2 and a molecular weight of 546.22 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole
PubChem CID129148229
Molecular FormulaC26H14Br2N2O2
Molecular Weight546.22 g/mol
Exact Mass543.94
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole
SMILESBrc1cc(Br)cc(-c2cc(-c3nc4ccccc4o3)cc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C26H14Br2N2O2/c27-19-12-16(13-20(28)14-19)15-9-17(25-29-21-5-1-3-7-23(21)31-25)11-18(10-15)26-30-22-6-2-4-8-24(22)32-26/h1-14H
InChIKeyWHJVLBIRXHUISW-UHFFFAOYSA-N
XLogP8.49
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.22
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-N-(4-bromo-2-chloro-6-sulfanylphenyl)-2-chloro-6-sulfanylanilino]-3-chlorobenzenethiol
CID 162785296
2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole
CID 71104968
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-[3-(1,3-benzoxazol-2-yl)-5-[4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176740351
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol
CID 135784125

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole (CID 129148229) is 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole is Brc1cc(Br)cc(-c2cc(-c3nc4ccccc4o3)cc(-c3nc4ccccc4o3)c2)c1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole?
The InChIKey is WHJVLBIRXHUISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14Br2N2O2/c27-19-12-16(13-20(28)14-19)15-9-17(25-29-21-5-1-3-7-23(21)31-25)11-18(10-15)26-30-22-6-2-4-8-24(22)32-26/h1-14H.
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole?
2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole has a molecular weight of 546.22 g/mol, XLogP of 8.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 129148229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).