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

C23H13F2N5O — CID 59457864

IUPAC6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nnc(-c4ccccc4F)n3c2)cc1
InChIInChI=1S/C23H13F2N5O/c24-16-8-5-14(6-9-16)20-21(29-11-12-31-23(29)26-20)15-7-10-19-27-28-22(30(19)13-15)17-3-1-2-4-18(17)25/h1-13H
InChIKeyXGJFGVSIOIEPQN-UHFFFAOYSA-N
MW413.39 g/mol
LogP5.25
Rot. Bonds3

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

6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole (PubChem CID 59457864) has the molecular formula C23H13F2N5O and a molecular weight of 413.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
PubChem CID59457864
Molecular FormulaC23H13F2N5O
Molecular Weight413.39 g/mol
Exact Mass413.11
IUPAC Name6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nnc(-c4ccccc4F)n3c2)cc1
InChIInChI=1S/C23H13F2N5O/c24-16-8-5-14(6-9-16)20-21(29-11-12-31-23(29)26-20)15-7-10-19-27-28-22(30(19)13-15)17-3-1-2-4-18(17)25/h1-13H
InChIKeyXGJFGVSIOIEPQN-UHFFFAOYSA-N
XLogP5.25
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.39
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(oxazol-2-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-6]pyridazin-2-yl)isonicotinamide
CID 118547770
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
p38 Kinase inhibitor 7
CID 11338778
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
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 49830403
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 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) is 6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole is Fc1ccc(-c2nc3occn3c2-c2ccc3nnc(-c4ccccc4F)n3c2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The InChIKey is XGJFGVSIOIEPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2N5O/c24-16-8-5-14(6-9-16)20-21(29-11-12-31-23(29)26-20)15-7-10-19-27-28-22(30(19)13-15)17-3-1-2-4-18(17)25/h1-13H.
What are the key properties of 6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole has a molecular weight of 413.39 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59457864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).