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

C20H20ClN3O4 — CID 9355027

IUPAC(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine
SMILESCCCOc1ccc(/C=N\OCc2nc(-c3ccccc3Cl)no2)cc1OC
InChIInChI=1S/C20H20ClN3O4/c1-3-10-26-17-9-8-14(11-18(17)25-2)12-22-27-13-19-23-20(24-28-19)15-6-4-5-7-16(15)21/h4-9,11-12H,3,10,13H2,1-2H3/b22-12-
InChIKeyDHSFUXJQTVJUQF-UUYOSTAYSA-N
MW401.85 g/mol
LogP4.74
Rot. Bonds9

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

(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine (PubChem CID 9355027) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine
PubChem CID9355027
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine
SMILESCCCOc1ccc(/C=N\OCc2nc(-c3ccccc3Cl)no2)cc1OC
InChIInChI=1S/C20H20ClN3O4/c1-3-10-26-17-9-8-14(11-18(17)25-2)12-22-27-13-19-23-20(24-28-19)15-6-4-5-7-16(15)21/h4-9,11-12H,3,10,13H2,1-2H3/b22-12-
InChIKeyDHSFUXJQTVJUQF-UUYOSTAYSA-N
XLogP4.74
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.74
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'}

Analyze (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine with MolForge

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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-(3,4-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
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9354319
(E)-1-(4-chlorophenyl)-N-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 78817364
N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3303970
(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine
CID 9354208
2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7700024
N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine
CID 175127360
N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 4850797
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665468
(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine
CID 7702638

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine?
The IUPAC name of (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine (CID 9355027) is (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine is CCCOc1ccc(/C=N\OCc2nc(-c3ccccc3Cl)no2)cc1OC.
What is the InChIKey of (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine?
The InChIKey is DHSFUXJQTVJUQF-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-3-10-26-17-9-8-14(11-18(17)25-2)12-22-27-13-19-23-20(24-28-19)15-6-4-5-7-16(15)21/h4-9,11-12H,3,10,13H2,1-2H3/b22-12-.
What are the key properties of (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine?
(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine has a molecular weight of 401.85 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine is sourced from PubChem (CID 9355027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).