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

C18H14FNO2 — CID 813209

IUPAC(4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C)c(/C=C2\N=C(c3ccccc3F)OC2=O)c1
InChIInChI=1S/C18H14FNO2/c1-11-7-8-12(2)13(9-11)10-16-18(21)22-17(20-16)14-5-3-4-6-15(14)19/h3-10H,1-2H3/b16-10-
InChIKeyXQKWTXFCYJDDMO-YBEGLDIGSA-N
MW295.31 g/mol
LogP3.79
Rot. Bonds2

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

(4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 813209) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is (4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
PubChem CID813209
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name(4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C)c(/C=C2\N=C(c3ccccc3F)OC2=O)c1
InChIInChI=1S/C18H14FNO2/c1-11-7-8-12(2)13(9-11)10-16-18(21)22-17(20-16)14-5-3-4-6-15(14)19/h3-10H,1-2H3/b16-10-
InChIKeyXQKWTXFCYJDDMO-YBEGLDIGSA-N
XLogP3.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.79
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)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one (CID 813209) is (4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is Cc1ccc(C)c(/C=C2\N=C(c3ccccc3F)OC2=O)c1.
What is the InChIKey of (4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is XQKWTXFCYJDDMO-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-11-7-8-12(2)13(9-11)10-16-18(21)22-17(20-16)14-5-3-4-6-15(14)19/h3-10H,1-2H3/b16-10-.
What are the key properties of (4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
(4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 295.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 813209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).