2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole

C19H14FN3O — CID 56672468

IUPAC2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)cc1
InChIInChI=1S/C19H14FN3O/c20-16-8-6-15(7-9-16)19-22-17(12-24-19)10-23-11-18(21-13-23)14-4-2-1-3-5-14/h1-9,11-13H,10H2
InChIKeyNTUAACFBZBXEFL-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole

2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56672468) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56672468
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)cc1
InChIInChI=1S/C19H14FN3O/c20-16-8-6-15(7-9-16)19-22-17(12-24-19)10-23-11-18(21-13-23)14-4-2-1-3-5-14/h1-9,11-13H,10H2
InChIKeyNTUAACFBZBXEFL-UHFFFAOYSA-N
XLogP4.39
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (CID 56672468) is 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is Fc1ccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is NTUAACFBZBXEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-16-8-6-15(7-9-16)19-22-17(12-24-19)10-23-11-18(21-13-23)14-4-2-1-3-5-14/h1-9,11-13H,10H2.
What are the key properties of 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 319.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56672468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).