(4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one

C20H11Cl2NO3 — CID 2301381

IUPAC(4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H11Cl2NO3/c21-13-6-8-15(17(22)10-13)18-9-7-14(25-18)11-16-19(23-26-20(16)24)12-4-2-1-3-5-12/h1-11H/b16-11+
InChIKeyZIMQJDHREDVGTK-LFIBNONCSA-N
MW384.22 g/mol
LogP5.60
Rot. Bonds3

About (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one

(4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 2301381) has the molecular formula C20H11Cl2NO3 and a molecular weight of 384.22 g/mol. Its IUPAC name is (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID2301381
Molecular FormulaC20H11Cl2NO3
Molecular Weight384.22 g/mol
Exact Mass383.01
IUPAC Name(4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H11Cl2NO3/c21-13-6-8-15(17(22)10-13)18-9-7-14(25-18)11-16-19(23-26-20(16)24)12-4-2-1-3-5-12/h1-11H/b16-11+
InChIKeyZIMQJDHREDVGTK-LFIBNONCSA-N
XLogP5.60
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 1007648
(4E)-4-benzylidene-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 678394
4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 171131683
4-[(2,6-dichlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2726243
(4Z)-3-(3-bromophenyl)-4-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylidene]-1,2-oxazol-5-one
CID 139254296
4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 3585390
(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 10641700
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410895
(4Z)-4-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126092910
(4Z)-4-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126087138
4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
CID 3926020
(4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-one
CID 126045649

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one (CID 2301381) is (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is ZIMQJDHREDVGTK-LFIBNONCSA-N. The full InChI is InChI=1S/C20H11Cl2NO3/c21-13-6-8-15(17(22)10-13)18-9-7-14(25-18)11-16-19(23-26-20(16)24)12-4-2-1-3-5-12/h1-11H/b16-11+.
What are the key properties of (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one?
(4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 384.22 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 2301381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).