(4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one

C18H13F2NO4 — CID 27858211

IUPAC(4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccc(F)cc3F)OC2=O)cc(OC)c1
InChIInChI=1S/C18H13F2NO4/c1-23-12-5-10(6-13(9-12)24-2)7-16-18(22)25-17(21-16)14-4-3-11(19)8-15(14)20/h3-9H,1-2H3/b16-7-
InChIKeyAJKNCBFEQPAERK-APSNUPSMSA-N
MW345.30 g/mol
LogP3.33
Rot. Bonds4

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

(4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 27858211) has the molecular formula C18H13F2NO4 and a molecular weight of 345.30 g/mol. Its IUPAC name is (4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID27858211
Molecular FormulaC18H13F2NO4
Molecular Weight345.30 g/mol
Exact Mass345.08
IUPAC Name(4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccc(F)cc3F)OC2=O)cc(OC)c1
InChIInChI=1S/C18H13F2NO4/c1-23-12-5-10(6-13(9-12)24-2)7-16-18(22)25-17(21-16)14-4-3-11(19)8-15(14)20/h3-9H,1-2H3/b16-7-
InChIKeyAJKNCBFEQPAERK-APSNUPSMSA-N
XLogP3.33
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.33
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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Related Compounds

4-[(3,5-dimethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 2875250
[3-[(Z)-[2-(2,4-difluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 34086596
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 9313429
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 7963822
4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4816005
(4Z)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 6214719
4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 2875488
(4Z)-2-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1270679
4-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 3617505
(4Z)-2-(2,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 831181
2-(2,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3109549
(4E)-2-(2-fluorophenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937214

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 27858211) is (4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one is COc1cc(/C=C2\N=C(c3ccc(F)cc3F)OC2=O)cc(OC)c1.
What is the InChIKey of (4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is AJKNCBFEQPAERK-APSNUPSMSA-N. The full InChI is InChI=1S/C18H13F2NO4/c1-23-12-5-10(6-13(9-12)24-2)7-16-18(22)25-17(21-16)14-4-3-11(19)8-15(14)20/h3-9H,1-2H3/b16-7-.
What are the key properties of (4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 345.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 27858211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).