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

C23H14Cl2FNO3 — CID 94844456

IUPAC(4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H14Cl2FNO3/c24-17-6-3-16(20(25)12-17)13-29-19-9-1-14(2-10-19)11-21-23(28)30-22(27-21)15-4-7-18(26)8-5-15/h1-12H,13H2/b21-11-
InChIKeyJJPDVSRANSMFTH-NHDPSOOVSA-N
MW442.27 g/mol
LogP6.06
Rot. Bonds5

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

(4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 94844456) has the molecular formula C23H14Cl2FNO3 and a molecular weight of 442.27 g/mol. Its IUPAC name is (4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
PubChem CID94844456
Molecular FormulaC23H14Cl2FNO3
Molecular Weight442.27 g/mol
Exact Mass441.03
IUPAC Name(4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H14Cl2FNO3/c24-17-6-3-16(20(25)12-17)13-29-19-9-1-14(2-10-19)11-21-23(28)30-22(27-21)15-4-7-18(26)8-5-15/h1-12H,13H2/b21-11-
InChIKeyJJPDVSRANSMFTH-NHDPSOOVSA-N
XLogP6.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.27
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 126015319
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19672771
4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 3893187
(4Z)-2-(3,4-dichlorophenyl)-4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672721
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665456
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 5408622
(4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 17379354
(4E)-4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 2266772
(4E)-2-(4-butoxyphenyl)-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2301377
(4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19670106
(4Z)-4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 19669962
(4Z)-2-(4-butoxyphenyl)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 126010658

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (CID 94844456) is (4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is JJPDVSRANSMFTH-NHDPSOOVSA-N. The full InChI is InChI=1S/C23H14Cl2FNO3/c24-17-6-3-16(20(25)12-17)13-29-19-9-1-14(2-10-19)11-21-23(28)30-22(27-21)15-4-7-18(26)8-5-15/h1-12H,13H2/b21-11-.
What are the key properties of (4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
(4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 442.27 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 94844456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).