(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine

C18H15Cl2N3O4 — CID 9354319

IUPAC(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
SMILESCOc1cc(/C=N\OCc2nc(-c3cccc(Cl)c3)no2)cc(Cl)c1OC
InChIInChI=1S/C18H15Cl2N3O4/c1-24-15-7-11(6-14(20)17(15)25-2)9-21-26-10-16-22-18(23-27-16)12-4-3-5-13(19)8-12/h3-9H,10H2,1-2H3/b21-9-
InChIKeyAQPAVTUQAOCEDA-NKVSQWTQSA-N
MW408.24 g/mol
LogP4.61
Rot. Bonds7

About (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine

(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine (PubChem CID 9354319) has the molecular formula C18H15Cl2N3O4 and a molecular weight of 408.24 g/mol. Its IUPAC name is (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
PubChem CID9354319
Molecular FormulaC18H15Cl2N3O4
Molecular Weight408.24 g/mol
Exact Mass407.04
IUPAC Name(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
SMILESCOc1cc(/C=N\OCc2nc(-c3cccc(Cl)c3)no2)cc(Cl)c1OC
InChIInChI=1S/C18H15Cl2N3O4/c1-24-15-7-11(6-14(20)17(15)25-2)9-21-26-10-16-22-18(23-27-16)12-4-3-5-13(19)8-12/h3-9H,10H2,1-2H3/b21-9-
InChIKeyAQPAVTUQAOCEDA-NKVSQWTQSA-N
XLogP4.61
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 7703084
(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine
CID 9354208
(E)-1-(4-chlorophenyl)-N-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 78817364
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine
CID 7702644
(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine
CID 9355027
(Z)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethoxyphenyl)methanimine
CID 9354521
(Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9353919
5-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxymethyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 95922525
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate
CID 18199087
3-(3-chlorophenyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 9137901
1-(3-chloro-4-methoxyphenyl)-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiourea
CID 100762709
5-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 100749957

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
The IUPAC name of (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine (CID 9354319) is (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine.
What is the SMILES notation for (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
The canonical SMILES for (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine is COc1cc(/C=N\OCc2nc(-c3cccc(Cl)c3)no2)cc(Cl)c1OC.
What is the InChIKey of (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
The InChIKey is AQPAVTUQAOCEDA-NKVSQWTQSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4/c1-24-15-7-11(6-14(20)17(15)25-2)9-21-26-10-16-22-18(23-27-16)12-4-3-5-13(19)8-12/h3-9H,10H2,1-2H3/b21-9-.
What are the key properties of (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine has a molecular weight of 408.24 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine is sourced from PubChem (CID 9354319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).