5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole

C21H14F3N5O — CID 59457805

IUPAC5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1cc(F)c(-c2nc3occn3c2-c2ccc3nnc(C4CCC4)n3c2)cc1F
InChIInChI=1S/C21H14F3N5O/c22-14-9-16(24)15(23)8-13(14)18-19(28-6-7-30-21(28)25-18)12-4-5-17-26-27-20(29(17)10-12)11-2-1-3-11/h4-11H,1-3H2
InChIKeyCJDIPFKZEJUKJA-UHFFFAOYSA-N
MW409.37 g/mol
LogP4.99
Rot. Bonds3

About 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole

5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 59457805) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID59457805
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC Name5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1cc(F)c(-c2nc3occn3c2-c2ccc3nnc(C4CCC4)n3c2)cc1F
InChIInChI=1S/C21H14F3N5O/c22-14-9-16(24)15(23)8-13(14)18-19(28-6-7-30-21(28)25-18)12-4-5-17-26-27-20(29(17)10-12)11-2-1-3-11/h4-11H,1-3H2
InChIKeyCJDIPFKZEJUKJA-UHFFFAOYSA-N
XLogP4.99
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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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
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US9884868, Example 216''
CID 122510396
3-[5-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-5-propoxy-[1,2,4]triazolo[4,3-a]pyrazine
CID 137638577
6-(2,4-Difluorophenyl)-5-(3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b]oxazole
CID 25134688
2-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-ol
CID 25167840
6-(2,4-Difluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 49830800
1-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-methylpropan-2-ol
CID 49830801
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-1,3-oxazole-4-carboxamide
CID 118538828
2-[6-[6-(2,4-Difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-ol
CID 49830803
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

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 59457805) is 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is Fc1cc(F)c(-c2nc3occn3c2-c2ccc3nnc(C4CCC4)n3c2)cc1F.
What is the InChIKey of 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is CJDIPFKZEJUKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c22-14-9-16(24)15(23)8-13(14)18-19(28-6-7-30-21(28)25-18)12-4-5-17-26-27-20(29(17)10-12)11-2-1-3-11/h4-11H,1-3H2.
What are the key properties of 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 409.37 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59457805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).