(5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine

C17H15ClN2O — CID 177388189

IUPAC(5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine
SMILESCl/C=C1\CN(Cc2ccccc2)/C(=N/c2ccccc2)O1
InChIInChI=1S/C17H15ClN2O/c18-11-16-13-20(12-14-7-3-1-4-8-14)17(21-16)19-15-9-5-2-6-10-15/h1-11H,12-13H2/b16-11+,19-17-
InChIKeyHTOWGNNZGLYXRV-UISRZRNOSA-N
MW298.77 g/mol
LogP4.29
Rot. Bonds3

About (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine

(5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine (PubChem CID 177388189) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name(5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine
PubChem CID177388189
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine
SMILESCl/C=C1\CN(Cc2ccccc2)/C(=N/c2ccccc2)O1
InChIInChI=1S/C17H15ClN2O/c18-11-16-13-20(12-14-7-3-1-4-8-14)17(21-16)19-15-9-5-2-6-10-15/h1-11H,12-13H2/b16-11+,19-17-
InChIKeyHTOWGNNZGLYXRV-UISRZRNOSA-N
XLogP4.29
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
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1-benzyl-1,3-diazetidine
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Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine?
The IUPAC name of (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine (CID 177388189) is (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine?
The canonical SMILES for (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine is Cl/C=C1\CN(Cc2ccccc2)/C(=N/c2ccccc2)O1.
What is the InChIKey of (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine?
The InChIKey is HTOWGNNZGLYXRV-UISRZRNOSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-11-16-13-20(12-14-7-3-1-4-8-14)17(21-16)19-15-9-5-2-6-10-15/h1-11H,12-13H2/b16-11+,19-17-.
What are the key properties of (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine?
(5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine has a molecular weight of 298.77 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 177388189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).