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

C20H13FN2O3 — CID 6036027

IUPAC(4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
SMILESCc1onc(-c2ccccc2)c1C1=N/C(=C\c2ccccc2F)C(=O)O1
InChIInChI=1S/C20H13FN2O3/c1-12-17(18(23-26-12)13-7-3-2-4-8-13)19-22-16(20(24)25-19)11-14-9-5-6-10-15(14)21/h2-11H,1H3/b16-11-
InChIKeyVMADVAIJNRSSRC-WJDWOHSUSA-N
MW348.33 g/mol
LogP4.13
Rot. Bonds3

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

(4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one (PubChem CID 6036027) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is (4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
PubChem CID6036027
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name(4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
SMILESCc1onc(-c2ccccc2)c1C1=N/C(=C\c2ccccc2F)C(=O)O1
InChIInChI=1S/C20H13FN2O3/c1-12-17(18(23-26-12)13-7-3-2-4-8-13)19-22-16(20(24)25-19)11-14-9-5-6-10-15(14)21/h2-11H,1H3/b16-11-
InChIKeyVMADVAIJNRSSRC-WJDWOHSUSA-N
XLogP4.13
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one (CID 6036027) is (4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one is Cc1onc(-c2ccccc2)c1C1=N/C(=C\c2ccccc2F)C(=O)O1.
What is the InChIKey of (4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one?
The InChIKey is VMADVAIJNRSSRC-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H13FN2O3/c1-12-17(18(23-26-12)13-7-3-2-4-8-13)19-22-16(20(24)25-19)11-14-9-5-6-10-15(14)21/h2-11H,1H3/b16-11-.
What are the key properties of (4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one?
(4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one has a molecular weight of 348.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-fluorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 6036027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).