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

C16H11Cl2NO2 — CID 70468568

IUPAC(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
SMILESO=C1OC(c2ccccc2)N/C1=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO2/c17-12-7-6-10(8-13(12)18)9-14-16(20)21-15(19-14)11-4-2-1-3-5-11/h1-9,15,19H/b14-9+
InChIKeyZDQTZCFVSVYPDT-NTEUORMPSA-N
MW320.18 g/mol
LogP4.18
Rot. Bonds2

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

(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one (PubChem CID 70468568) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
PubChem CID70468568
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
SMILESO=C1OC(c2ccccc2)N/C1=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO2/c17-12-7-6-10(8-13(12)18)9-14-16(20)21-15(19-14)11-4-2-1-3-5-11/h1-9,15,19H/b14-9+
InChIKeyZDQTZCFVSVYPDT-NTEUORMPSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-Dichlorobenzyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 876259
(4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one
CID 155424207
(3,4-Dichlorophenyl)methyl 2-(phenylcarbonylamino)acetate
CID 891365
(4E)-4-benzylidene-2-phenyl-1,3-oxazolidin-5-one
CID 5709935
Benzyl 4-tert-butoxycarbonyl-1-(3,4-dichlorobenzyl)cyclopenta[b]pyrrole-2-carboxylate
CID 21702180
Benzyl 4-carboxy-1-(3,4-dichlorobenzyl)cyclopenta[b]pyrrole-2-carboxylate
CID 21702192
(4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
CID 22301034
1-[(3,4-dichlorophenyl)methyl]-2-phenylmethoxycarbonyl-6aH-cyclopenta[b]pyrrole-4-carboxylic acid
CID 53646585
Ethyl 3-[(3,4-dichlorophenyl)methoxycarbonylamino]-3-phenylprop-2-enoate
CID 54219790
2-O-benzyl 4-O-tert-butyl 1-[(3,4-dichlorophenyl)methyl]-6aH-cyclopenta[b]pyrrole-2,4-dicarboxylate
CID 69970407
(4Z)-4-[2-(3,4-dichlorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazolidin-5-one
CID 70256961
(4E)-4-[2-(3-chlorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazolidin-5-one
CID 70256974

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
The IUPAC name of (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one (CID 70468568) is (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one.
What is the SMILES notation for (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
The canonical SMILES for (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one is O=C1OC(c2ccccc2)N/C1=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
The InChIKey is ZDQTZCFVSVYPDT-NTEUORMPSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-12-7-6-10(8-13(12)18)9-14-16(20)21-15(19-14)11-4-2-1-3-5-11/h1-9,15,19H/b14-9+.
What are the key properties of (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one has a molecular weight of 320.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 70468568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).