2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole

C23H14ClFN4O — CID 68789915

IUPAC2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(-c3ncc(-c4ccccc4)o3)nc2)[nH]1
InChIInChI=1S/C23H14ClFN4O/c24-16-7-4-8-17(25)21(16)22-27-12-19(29-22)15-9-10-18(26-11-15)23-28-13-20(30-23)14-5-2-1-3-6-14/h1-13H,(H,27,29)
InChIKeyNXEDKQSPBMRYSB-UHFFFAOYSA-N
MW416.84 g/mol
LogP6.25
Rot. Bonds4

About 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole

2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole (PubChem CID 68789915) has the molecular formula C23H14ClFN4O and a molecular weight of 416.84 g/mol. Its IUPAC name is 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole
PubChem CID68789915
Molecular FormulaC23H14ClFN4O
Molecular Weight416.84 g/mol
Exact Mass416.08
IUPAC Name2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(-c3ncc(-c4ccccc4)o3)nc2)[nH]1
InChIInChI=1S/C23H14ClFN4O/c24-16-7-4-8-17(25)21(16)22-27-12-19(29-22)15-9-10-18(26-11-15)23-28-13-20(30-23)14-5-2-1-3-6-14/h1-13H,(H,27,29)
InChIKeyNXEDKQSPBMRYSB-UHFFFAOYSA-N
XLogP6.25
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.84
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole (CID 68789915) is 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole is Fc1cccc(Cl)c1-c1ncc(-c2ccc(-c3ncc(-c4ccccc4)o3)nc2)[nH]1.
What is the InChIKey of 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole?
The InChIKey is NXEDKQSPBMRYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4O/c24-16-7-4-8-17(25)21(16)22-27-12-19(29-22)15-9-10-18(26-11-15)23-28-13-20(30-23)14-5-2-1-3-6-14/h1-13H,(H,27,29).
What are the key properties of 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole?
2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole has a molecular weight of 416.84 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 68789915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).