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

C17H11Cl2NO3 — CID 108937264

IUPAC(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one
SMILESO=C1OC(COc2ccccc2)=N/C1=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO3/c18-12-7-6-11(14(19)9-12)8-15-17(21)23-16(20-15)10-22-13-4-2-1-3-5-13/h1-9H,10H2/b15-8-
InChIKeyCUUHWXOJKKXZNU-NVNXTCNLSA-N
MW348.19 g/mol
LogP4.37
Rot. Bonds4

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

(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one (PubChem CID 108937264) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one
PubChem CID108937264
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one
SMILESO=C1OC(COc2ccccc2)=N/C1=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO3/c18-12-7-6-11(14(19)9-12)8-15-17(21)23-16(20-15)10-22-13-4-2-1-3-5-13/h1-9H,10H2/b15-8-
InChIKeyCUUHWXOJKKXZNU-NVNXTCNLSA-N
XLogP4.37
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.37
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

4-[(2,4-dichlorophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 4528052
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one
CID 108937439
2-[2-(2,4-dichlorophenyl)ethenyl]-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 5185948
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one
CID 108936456
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 5408622
4-[(2,4-dichlorophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 746827
(4Z)-2-(4-bromophenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2180588
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 5411455
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(oxan-4-yl)-1,3-oxazol-5-one
CID 108937268
(4Z)-4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 94844456
2-(3-chlorophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3109497
(4Z)-2-(5-bromo-2-methoxyphenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6174976

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one (CID 108937264) is (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one is O=C1OC(COc2ccccc2)=N/C1=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one?
The InChIKey is CUUHWXOJKKXZNU-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c18-12-7-6-11(14(19)9-12)8-15-17(21)23-16(20-15)10-22-13-4-2-1-3-5-13/h1-9H,10H2/b15-8-.
What are the key properties of (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one?
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one has a molecular weight of 348.19 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one is sourced from PubChem (CID 108937264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).