(5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide

C59H72Cl4N8O8 — CID 158289261

IUPAC(5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide
SMILESC.C/C(N)=N\CCC(Cl)C1NC(=O)/C(=C/c2ccc(C)cc2)O1.C/C(N)=N\CCCC1NC(=O)/C(=C/c2ccc(C)cc2)O1.Cc1ccc(/C=C2\OC(C(C)(Cl)Cl)NC2=O)cc1.Cc1ccc(/C=C2\OC(C(C)Cl)NC2=O)cc1
InChIInChI=1S/C16H20ClN3O2.C16H21N3O2.C13H13Cl2NO2.C13H14ClNO2.CH4/c1-10-3-5-12(6-4-10)9-14-15(21)20-16(22-14)13(17)7-8-19-11(2)18;1-11-5-7-13(8-6-11)10-14-16(20)19-15(21-14)4-3-9-18-12(2)17;1-8-3-5-9(6-4-8)7-10-11(17)16-12(18-10)13(2,14)15;1-8-3-5-10(6-4-8)7-11-12(16)15-13(17-11)9(2)14;/h3-6,9,13,16H,7-8H2,1-2H3,(H2,18,19)(H,20,21);5-8,10,15H,3-4,9H2,1-2H3,(H2,17,18)(H,19,20);3-7,12H,1-2H3,(H,16,17);3-7,9,13H,1-2H3,(H,15,16);1H4/b14-9-;14-10-;10-7-;11-7-;
InChIKeyGLDQIVWTVLBORE-MVRANORVSA-N
MW1163.08 g/mol
LogP10.22
Rot. Bonds14

About (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide

(5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide (PubChem CID 158289261) has the molecular formula C59H72Cl4N8O8 and a molecular weight of 1163.08 g/mol. Its IUPAC name is (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide.

Molecular Properties

Compound Name(5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide
PubChem CID158289261
Molecular FormulaC59H72Cl4N8O8
Molecular Weight1163.08 g/mol
Exact Mass1160.42
IUPAC Name(5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide
SMILESC.C/C(N)=N\CCC(Cl)C1NC(=O)/C(=C/c2ccc(C)cc2)O1.C/C(N)=N\CCCC1NC(=O)/C(=C/c2ccc(C)cc2)O1.Cc1ccc(/C=C2\OC(C(C)(Cl)Cl)NC2=O)cc1.Cc1ccc(/C=C2\OC(C(C)Cl)NC2=O)cc1
InChIInChI=1S/C16H20ClN3O2.C16H21N3O2.C13H13Cl2NO2.C13H14ClNO2.CH4/c1-10-3-5-12(6-4-10)9-14-15(21)20-16(22-14)13(17)7-8-19-11(2)18;1-11-5-7-13(8-6-11)10-14-16(20)19-15(21-14)4-3-9-18-12(2)17;1-8-3-5-9(6-4-8)7-10-11(17)16-12(18-10)13(2,14)15;1-8-3-5-10(6-4-8)7-11-12(16)15-13(17-11)9(2)14;/h3-6,9,13,16H,7-8H2,1-2H3,(H2,18,19)(H,20,21);5-8,10,15H,3-4,9H2,1-2H3,(H2,17,18)(H,19,20);3-7,12H,1-2H3,(H,16,17);3-7,9,13H,1-2H3,(H,15,16);1H4/b14-9-;14-10-;10-7-;11-7-;
InChIKeyGLDQIVWTVLBORE-MVRANORVSA-N
XLogP10.22
TPSA230.08 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001163.08
LogP ≤ 510.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide?
The IUPAC name of (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide (CID 158289261) is (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide.
What is the SMILES notation for (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide?
The canonical SMILES for (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide is C.C/C(N)=N\CCC(Cl)C1NC(=O)/C(=C/c2ccc(C)cc2)O1.C/C(N)=N\CCCC1NC(=O)/C(=C/c2ccc(C)cc2)O1.Cc1ccc(/C=C2\OC(C(C)(Cl)Cl)NC2=O)cc1.Cc1ccc(/C=C2\OC(C(C)Cl)NC2=O)cc1.
What is the InChIKey of (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide?
The InChIKey is GLDQIVWTVLBORE-MVRANORVSA-N. The full InChI is InChI=1S/C16H20ClN3O2.C16H21N3O2.C13H13Cl2NO2.C13H14ClNO2.CH4/c1-10-3-5-12(6-4-10)9-14-15(21)20-16(22-14)13(17)7-8-19-11(2)18;1-11-5-7-13(8-6-11)10-14-16(20)19-15(21-14)4-3-9-18-12(2)17;1-8-3-5-9(6-4-8)7-10-11(17)16-12(18-10)13(2,14)15;1-8-3-5-10(6-4-8)7-11-12(16)15-13(17-11)9(2)14;/h3-6,9,13,16H,7-8H2,1-2H3,(H2,18,19)(H,20,21);5-8,10,15H,3-4,9H2,1-2H3,(H2,17,18)(H,19,20);3-7,12H,1-2H3,(H,16,17);3-7,9,13H,1-2H3,(H,15,16);1H4/b14-9-;14-10-;10-7-;11-7-;.
What are the key properties of (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide?
(5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide has a molecular weight of 1163.08 g/mol, XLogP of 10.22, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(1-chloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;N'-[3-chloro-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide;(5Z)-2-(1,1-dichloroethyl)-5-[(4-methylphenyl)methylidene]-1,3-oxazolidin-4-one;methane;N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide is sourced from PubChem (CID 158289261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).