6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole

C16H8F3N3O — CID 59457866

IUPAC6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc(F)nc2)c(F)c1
InChIInChI=1S/C16H8F3N3O/c17-10-2-3-11(12(18)7-10)14-15(9-1-4-13(19)20-8-9)22-5-6-23-16(22)21-14/h1-8H
InChIKeyWEEJVINXKQRPEC-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.07
Rot. Bonds2

About 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole

6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 59457866) has the molecular formula C16H8F3N3O and a molecular weight of 315.25 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole
PubChem CID59457866
Molecular FormulaC16H8F3N3O
Molecular Weight315.25 g/mol
Exact Mass315.06
IUPAC Name6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc(F)nc2)c(F)c1
InChIInChI=1S/C16H8F3N3O/c17-10-2-3-11(12(18)7-10)14-15(9-1-4-13(19)20-8-9)22-5-6-23-16(22)21-14/h1-8H
InChIKeyWEEJVINXKQRPEC-UHFFFAOYSA-N
XLogP4.07
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole (CID 59457866) is 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole is Fc1ccc(-c2nc3occn3c2-c2ccc(F)nc2)c(F)c1.
What is the InChIKey of 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is WEEJVINXKQRPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3O/c17-10-2-3-11(12(18)7-10)14-15(9-1-4-13(19)20-8-9)22-5-6-23-16(22)21-14/h1-8H.
What are the key properties of 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole?
6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 315.25 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59457866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).