1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine

C17H15Cl2N3O — CID 15695436

IUPAC1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
SMILESClc1ccccc1/C=N/CCC1=NC(c2ccccc2Cl)ON1
InChIInChI=1S/C17H15Cl2N3O/c18-14-7-3-1-5-12(14)11-20-10-9-16-21-17(23-22-16)13-6-2-4-8-15(13)19/h1-8,11,17H,9-10H2,(H,21,22)/b20-11+
InChIKeyARHSIFYEBCKUCX-RGVLZGJSSA-N
MW348.23 g/mol
LogP4.43
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine

1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine (PubChem CID 15695436) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
PubChem CID15695436
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
SMILESClc1ccccc1/C=N/CCC1=NC(c2ccccc2Cl)ON1
InChIInChI=1S/C17H15Cl2N3O/c18-14-7-3-1-5-12(14)11-20-10-9-16-21-17(23-22-16)13-6-2-4-8-15(13)19/h1-8,11,17H,9-10H2,(H,21,22)/b20-11+
InChIKeyARHSIFYEBCKUCX-RGVLZGJSSA-N
XLogP4.43
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine (CID 15695436) is 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine is Clc1ccccc1/C=N/CCC1=NC(c2ccccc2Cl)ON1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine?
The InChIKey is ARHSIFYEBCKUCX-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-14-7-3-1-5-12(14)11-20-10-9-16-21-17(23-22-16)13-6-2-4-8-15(13)19/h1-8,11,17H,9-10H2,(H,21,22)/b20-11+.
What are the key properties of 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine?
1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine has a molecular weight of 348.23 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine is sourced from PubChem (CID 15695436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).