2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole

C16H9F4NO — CID 1400737

IUPAC2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole
SMILESFc1cc(F)c(F)c(C=C2COC(c3ccccc3)=N2)c1F
InChIInChI=1S/C16H9F4NO/c17-12-7-13(18)15(20)11(14(12)19)6-10-8-22-16(21-10)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyUEXVHOOOQDTOAF-UHFFFAOYSA-N
MW307.25 g/mol
LogP4.06
Rot. Bonds2

About 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole

2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole (PubChem CID 1400737) has the molecular formula C16H9F4NO and a molecular weight of 307.25 g/mol. Its IUPAC name is 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole
PubChem CID1400737
Molecular FormulaC16H9F4NO
Molecular Weight307.25 g/mol
Exact Mass307.06
IUPAC Name2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole
SMILESFc1cc(F)c(F)c(C=C2COC(c3ccccc3)=N2)c1F
InChIInChI=1S/C16H9F4NO/c17-12-7-13(18)15(20)11(14(12)19)6-10-8-22-16(21-10)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyUEXVHOOOQDTOAF-UHFFFAOYSA-N
XLogP4.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole (CID 1400737) is 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole is Fc1cc(F)c(F)c(C=C2COC(c3ccccc3)=N2)c1F.
What is the InChIKey of 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole?
The InChIKey is UEXVHOOOQDTOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4NO/c17-12-7-13(18)15(20)11(14(12)19)6-10-8-22-16(21-10)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole?
2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole has a molecular weight of 307.25 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(2,3,5,6-tetrafluorophenyl)methylidene]-1,3-oxazole is sourced from PubChem (CID 1400737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).