5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole

C29H19N3O — CID 59691166

IUPAC5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole
SMILESc1ccc(-c2nc3occn3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C29H19N3O/c1-2-8-20(9-3-1)27-28(31-18-19-33-29(31)30-27)21-14-16-22(17-15-21)32-25-12-6-4-10-23(25)24-11-5-7-13-26(24)32/h1-19H
InChIKeyVNJPMAYHIHTOJZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP7.36
Rot. Bonds3

About 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole

5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole (PubChem CID 59691166) has the molecular formula C29H19N3O and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole
PubChem CID59691166
Molecular FormulaC29H19N3O
Molecular Weight425.49 g/mol
Exact Mass425.15
IUPAC Name5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole
SMILESc1ccc(-c2nc3occn3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C29H19N3O/c1-2-8-20(9-3-1)27-28(31-18-19-33-29(31)30-27)21-14-16-22(17-15-21)32-25-12-6-4-10-23(25)24-11-5-7-13-26(24)32/h1-19H
InChIKeyVNJPMAYHIHTOJZ-UHFFFAOYSA-N
XLogP7.36
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole (CID 59691166) is 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole is c1ccc(-c2nc3occn3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole?
The InChIKey is VNJPMAYHIHTOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O/c1-2-8-20(9-3-1)27-28(31-18-19-33-29(31)30-27)21-14-16-22(17-15-21)32-25-12-6-4-10-23(25)24-11-5-7-13-26(24)32/h1-19H.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole?
5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole has a molecular weight of 425.49 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59691166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).