5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole

C29H19N3O — CID 59691053

IUPAC5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole
SMILESc1ccc(-c2ccc(-c3nc4occn4c3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C29H19N3O/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)27-28(31-18-19-33-29(31)30-27)32-25-12-6-4-10-23(25)24-11-5-7-13-26(24)32/h1-19H
InChIKeyNUUWPXRXRWLKLK-UHFFFAOYSA-N
MW425.49 g/mol
LogP7.36
Rot. Bonds3

About 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole

5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 59691053) has the molecular formula C29H19N3O and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID59691053
Molecular FormulaC29H19N3O
Molecular Weight425.49 g/mol
Exact Mass425.15
IUPAC Name5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole
SMILESc1ccc(-c2ccc(-c3nc4occn4c3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C29H19N3O/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)27-28(31-18-19-33-29(31)30-27)32-25-12-6-4-10-23(25)24-11-5-7-13-26(24)32/h1-19H
InChIKeyNUUWPXRXRWLKLK-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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Related Compounds

6-(2,4-Difluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 49830800
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]oxazole
CID 19022708
6-(4-Fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 24952852
5-(3-Ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 24952853
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine
CID 58541869
N-(1H-benzimidazol-2-ylmethyl)-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
CID 59011530
6-[6-(4-Fluorophenyl)-imidazo[2,1-b]oxazol-5-yl]-2-pyridin-4-yl-1H-benzimidazole
CID 59457791
6-[6-(4-fluorophenyl)-imidazo[2,1-b]oxazol-5-yl]-2-pyridin-4-yl-1H-benzoimidazole 3-oxide
CID 59457800
5-[3-(2,2-Dimethylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 59457832
1-(2,2-Dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
CID 59457834
6-(4-Fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
CID 59457864
6-(2,4-Difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole
CID 59457866

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole (CID 59691053) is 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole is c1ccc(-c2ccc(-c3nc4occn4c3-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is NUUWPXRXRWLKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)27-28(31-18-19-33-29(31)30-27)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-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole?
5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[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-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59691053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).