N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

C20H21Cl2N3O — CID 154664873

IUPACN'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C2CC(c3ccccc3Cl)=NO2)cc1Cl
InChIInChI=1S/C20H21Cl2N3O/c1-4-25(3)12-23-19-9-13(2)15(10-17(19)22)20-11-18(24-26-20)14-7-5-6-8-16(14)21/h5-10,12,20H,4,11H2,1-3H3/b23-12+
InChIKeyIBORNYRVGLALNL-FSJBWODESA-N
MW390.31 g/mol
LogP5.78
Rot. Bonds5

About N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 154664873) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID154664873
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC NameN'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C2CC(c3ccccc3Cl)=NO2)cc1Cl
InChIInChI=1S/C20H21Cl2N3O/c1-4-25(3)12-23-19-9-13(2)15(10-17(19)22)20-11-18(24-26-20)14-7-5-6-8-16(14)21/h5-10,12,20H,4,11H2,1-3H3/b23-12+
InChIKeyIBORNYRVGLALNL-FSJBWODESA-N
XLogP5.78
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide 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 N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 154664873) is N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(C2CC(c3ccccc3Cl)=NO2)cc1Cl.
What is the InChIKey of N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is IBORNYRVGLALNL-FSJBWODESA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c1-4-25(3)12-23-19-9-13(2)15(10-17(19)22)20-11-18(24-26-20)14-7-5-6-8-16(14)21/h5-10,12,20H,4,11H2,1-3H3/b23-12+.
What are the key properties of N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 390.31 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 154664873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).