2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole

C25H15NO2 — CID 67888451

IUPAC2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc2c1
InChIInChI=1S/C25H15NO2/c1-3-10-22-19(6-1)20-8-5-7-18(24(20)27-22)16-12-14-17(15-13-16)25-26-21-9-2-4-11-23(21)28-25/h1-15H
InChIKeyKKIWGFJRMZXZIW-UHFFFAOYSA-N
MW361.40 g/mol
LogP7.06
Rot. Bonds2

About 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole

2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole (PubChem CID 67888451) has the molecular formula C25H15NO2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
PubChem CID67888451
Molecular FormulaC25H15NO2
Molecular Weight361.40 g/mol
Exact Mass361.11
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc2c1
InChIInChI=1S/C25H15NO2/c1-3-10-22-19(6-1)20-8-5-7-18(24(20)27-22)16-12-14-17(15-13-16)25-26-21-9-2-4-11-23(21)28-25/h1-15H
InChIKeyKKIWGFJRMZXZIW-UHFFFAOYSA-N
XLogP7.06
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
CID 171760846
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine
CID 155402854
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 67888522
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148
2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole
CID 159265419
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 155357091
4-(4-bromophenyl)dibenzofuran
CID 59022098
6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole
CID 137473418
6-[6-[4-dibenzofuran-4-yl-6-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole;5-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;6-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 159598829
3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol
CID 135841605
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
CID 170776922

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole (CID 67888451) is 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole is c1ccc2oc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc2c1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole?
The InChIKey is KKIWGFJRMZXZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO2/c1-3-10-22-19(6-1)20-8-5-7-18(24(20)27-22)16-12-14-17(15-13-16)25-26-21-9-2-4-11-23(21)28-25/h1-15H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole?
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole has a molecular weight of 361.40 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 67888451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).