(4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one

C16H8Cl2FNO2 — CID 786162

IUPAC(4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1F
InChIInChI=1S/C16H8Cl2FNO2/c17-10-5-6-11(12(18)8-10)15-20-14(16(21)22-15)7-9-3-1-2-4-13(9)19/h1-8H/b14-7-
InChIKeyJNQVHJMXYIENLM-AUWJEWJLSA-N
MW336.15 g/mol
LogP4.48
Rot. Bonds2

About (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 786162) has the molecular formula C16H8Cl2FNO2 and a molecular weight of 336.15 g/mol. Its IUPAC name is (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID786162
Molecular FormulaC16H8Cl2FNO2
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name(4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1F
InChIInChI=1S/C16H8Cl2FNO2/c17-10-5-6-11(12(18)8-10)15-20-14(16(21)22-15)7-9-3-1-2-4-13(9)19/h1-8H/b14-7-
InChIKeyJNQVHJMXYIENLM-AUWJEWJLSA-N
XLogP4.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (CID 786162) is (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1F.
What is the InChIKey of (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is JNQVHJMXYIENLM-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H8Cl2FNO2/c17-10-5-6-11(12(18)8-10)15-20-14(16(21)22-15)7-9-3-1-2-4-13(9)19/h1-8H/b14-7-.
What are the key properties of (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 336.15 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2,4-dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 786162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).