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

C17H15Cl2N3O — CID 15695437

IUPAC1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
SMILESClc1ccc(/C=N/CCC2=NC(c3ccc(Cl)cc3)ON2)cc1
InChIInChI=1S/C17H15Cl2N3O/c18-14-5-1-12(2-6-14)11-20-10-9-16-21-17(23-22-16)13-3-7-15(19)8-4-13/h1-8,11,17H,9-10H2,(H,21,22)/b20-11+
InChIKeyHGJSPWOIHVLENW-RGVLZGJSSA-N
MW348.23 g/mol
LogP4.43
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine (PubChem CID 15695437) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
PubChem CID15695437
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
SMILESClc1ccc(/C=N/CCC2=NC(c3ccc(Cl)cc3)ON2)cc1
InChIInChI=1S/C17H15Cl2N3O/c18-14-5-1-12(2-6-14)11-20-10-9-16-21-17(23-22-16)13-3-7-15(19)8-4-13/h1-8,11,17H,9-10H2,(H,21,22)/b20-11+
InChIKeyHGJSPWOIHVLENW-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine (CID 15695437) is 1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine is Clc1ccc(/C=N/CCC2=NC(c3ccc(Cl)cc3)ON2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine?
The InChIKey is HGJSPWOIHVLENW-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-14-5-1-12(2-6-14)11-20-10-9-16-21-17(23-22-16)13-3-7-15(19)8-4-13/h1-8,11,17H,9-10H2,(H,21,22)/b20-11+.
What are the key properties of 1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine?
1-(4-chlorophenyl)-N-[2-[5-(4-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-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine is sourced from PubChem (CID 15695437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).