4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline

C41H28N4O — CID 59691228

IUPAC4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4occn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C41H28N4O/c1-3-11-31(12-4-1)44(32-13-5-2-6-14-32)33-23-19-29(20-24-33)39-40(43-27-28-46-41(43)42-39)30-21-25-34(26-22-30)45-37-17-9-7-15-35(37)36-16-8-10-18-38(36)45/h1-28H
InChIKeyUJONDYMJPAAUHL-UHFFFAOYSA-N
MW592.70 g/mol
LogP10.83
Rot. Bonds6

About 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline

4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline (PubChem CID 59691228) has the molecular formula C41H28N4O and a molecular weight of 592.70 g/mol. Its IUPAC name is 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline
PubChem CID59691228
Molecular FormulaC41H28N4O
Molecular Weight592.70 g/mol
Exact Mass592.23
IUPAC Name4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4occn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C41H28N4O/c1-3-11-31(12-4-1)44(32-13-5-2-6-14-32)33-23-19-29(20-24-33)39-40(43-27-28-46-41(43)42-39)30-21-25-34(26-22-30)45-37-17-9-7-15-35(37)36-16-8-10-18-38(36)45/h1-28H
InChIKeyUJONDYMJPAAUHL-UHFFFAOYSA-N
XLogP10.83
TPSA38.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
CID 58541686
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
CID 58541866
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline (CID 59691228) is 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3nc4occn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline?
The InChIKey is UJONDYMJPAAUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O/c1-3-11-31(12-4-1)44(32-13-5-2-6-14-32)33-23-19-29(20-24-33)39-40(43-27-28-46-41(43)42-39)30-21-25-34(26-22-30)45-37-17-9-7-15-35(37)36-16-8-10-18-38(36)45/h1-28H.
What are the key properties of 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline?
4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline has a molecular weight of 592.70 g/mol, XLogP of 10.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]oxazol-6-yl]-N,N-diphenylaniline is sourced from PubChem (CID 59691228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).