6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole

C20H11F2N3O — CID 121350000

IUPAC6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C20H11F2N3O/c21-15-5-3-13(11-16(15)22)18-19(25-8-9-26-20(25)24-18)14-4-6-17-12(10-14)2-1-7-23-17/h1-11H
InChIKeyYFSYQHGNDCCVOD-UHFFFAOYSA-N
MW347.32 g/mol
LogP5.09
Rot. Bonds2

About 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole

6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole (PubChem CID 121350000) has the molecular formula C20H11F2N3O and a molecular weight of 347.32 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole
PubChem CID121350000
Molecular FormulaC20H11F2N3O
Molecular Weight347.32 g/mol
Exact Mass347.09
IUPAC Name6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C20H11F2N3O/c21-15-5-3-13(11-16(15)22)18-19(25-8-9-26-20(25)24-18)14-4-6-17-12(10-14)2-1-7-23-17/h1-11H
InChIKeyYFSYQHGNDCCVOD-UHFFFAOYSA-N
XLogP5.09
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.32
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 44577212
p38 Kinase inhibitor 7
CID 11338778
p38 Kinase inhibitor 8
CID 11407497
p38 MAP Kinase-IN-1
CID 11417587
6-(2,4-Difluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 49830800
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 49830403
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
6-(4-Fluorophenyl)-imidazo[2,1-b]oxazole
CID 57433610
N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide
CID 57433624
4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 57433685

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole (CID 121350000) is 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole is Fc1ccc(-c2nc3occn3c2-c2ccc3ncccc3c2)cc1F.
What is the InChIKey of 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole?
The InChIKey is YFSYQHGNDCCVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N3O/c21-15-5-3-13(11-16(15)22)18-19(25-8-9-26-20(25)24-18)14-4-6-17-12(10-14)2-1-7-23-17/h1-11H.
What are the key properties of 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole?
6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole has a molecular weight of 347.32 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 121350000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).