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

C21H15F2N5O — CID 24953203

IUPAC5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nnc(C4CCC4)n3c2)c(F)c1
InChIInChI=1S/C21H15F2N5O/c22-14-5-6-15(16(23)10-14)18-19(27-8-9-29-21(27)24-18)13-4-7-17-25-26-20(28(17)11-13)12-2-1-3-12/h4-12H,1-3H2
InChIKeyNUPGLHPHGMMHKY-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.85
Rot. Bonds3

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

5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 24953203) has the molecular formula C21H15F2N5O and a molecular weight of 391.38 g/mol. Its IUPAC name is 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)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-difluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID24953203
Molecular FormulaC21H15F2N5O
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nnc(C4CCC4)n3c2)c(F)c1
InChIInChI=1S/C21H15F2N5O/c22-14-5-6-15(16(23)10-14)18-19(27-8-9-29-21(27)24-18)13-4-7-17-25-26-20(28(17)11-13)12-2-1-3-12/h4-12H,1-3H2
InChIKeyNUPGLHPHGMMHKY-UHFFFAOYSA-N
XLogP4.85
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-difluorophenyl)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-difluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 24953203) is 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)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-difluorophenyl)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-difluorophenyl)imidazo[2,1-b][1,3]oxazole is Fc1ccc(-c2nc3occn3c2-c2ccc3nnc(C4CCC4)n3c2)c(F)c1.
What is the InChIKey of 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is NUPGLHPHGMMHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O/c22-14-5-6-15(16(23)10-14)18-19(27-8-9-29-21(27)24-18)13-4-7-17-25-26-20(28(17)11-13)12-2-1-3-12/h4-12H,1-3H2.
What are the key properties of 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 391.38 g/mol, XLogP of 4.85, 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-difluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 24953203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).