(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione

C25H20ClNO5 — CID 71181347

IUPAC(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(Oc2ccc(Cl)cc2)ccc1Oc1cccc(/C=C2/OC(=O)NC2=O)c1
InChIInChI=1S/C25H20ClNO5/c1-2-4-17-15-21(30-19-9-7-18(26)8-10-19)11-12-22(17)31-20-6-3-5-16(13-20)14-23-24(28)27-25(29)32-23/h3,5-15H,2,4H2,1H3,(H,27,28,29)/b23-14+
InChIKeyGFOGJSXEMMSVMZ-OEAKJJBVSA-N
MW449.89 g/mol
LogP6.48
Rot. Bonds7

About (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione

(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 71181347) has the molecular formula C25H20ClNO5 and a molecular weight of 449.89 g/mol. Its IUPAC name is (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID71181347
Molecular FormulaC25H20ClNO5
Molecular Weight449.89 g/mol
Exact Mass449.10
IUPAC Name(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(Oc2ccc(Cl)cc2)ccc1Oc1cccc(/C=C2/OC(=O)NC2=O)c1
InChIInChI=1S/C25H20ClNO5/c1-2-4-17-15-21(30-19-9-7-18(26)8-10-19)11-12-22(17)31-20-6-3-5-16(13-20)14-23-24(28)27-25(29)32-23/h3,5-15H,2,4H2,1H3,(H,27,28,29)/b23-14+
InChIKeyGFOGJSXEMMSVMZ-OEAKJJBVSA-N
XLogP6.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.89
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione (CID 71181347) is (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione is CCCc1cc(Oc2ccc(Cl)cc2)ccc1Oc1cccc(/C=C2/OC(=O)NC2=O)c1.
What is the InChIKey of (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is GFOGJSXEMMSVMZ-OEAKJJBVSA-N. The full InChI is InChI=1S/C25H20ClNO5/c1-2-4-17-15-21(30-19-9-7-18(26)8-10-19)11-12-22(17)31-20-6-3-5-16(13-20)14-23-24(28)27-25(29)32-23/h3,5-15H,2,4H2,1H3,(H,27,28,29)/b23-14+.
What are the key properties of (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione?
(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 449.89 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71181347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).