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

C18H16ClN3O4 — CID 9353919

IUPAC(Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
SMILESCOc1ccc(-c2noc(CO/N=C\c3ccc(Cl)cc3)n2)c(OC)c1
InChIInChI=1S/C18H16ClN3O4/c1-23-14-7-8-15(16(9-14)24-2)18-21-17(26-22-18)11-25-20-10-12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3/b20-10-
InChIKeyOYMPUVKPBYCJRH-JMIUGGIZSA-N
MW373.80 g/mol
LogP3.96
Rot. Bonds7

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

(Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine (PubChem CID 9353919) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
PubChem CID9353919
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name(Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
SMILESCOc1ccc(-c2noc(CO/N=C\c3ccc(Cl)cc3)n2)c(OC)c1
InChIInChI=1S/C18H16ClN3O4/c1-23-14-7-8-15(16(9-14)24-2)18-21-17(26-22-18)11-25-20-10-12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3/b20-10-
InChIKeyOYMPUVKPBYCJRH-JMIUGGIZSA-N
XLogP3.96
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.96
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)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine with MolForge

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Related Compounds

(E)-1-(4-chlorophenyl)-N-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 78817364
(E)-3-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylprop-2-enamide
CID 99998559
(Z)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethoxyphenyl)methanimine
CID 9354521
3-(2,4-dimethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355901
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chlorobenzoate
CID 9412608
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 7703084
(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine
CID 9355027
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,4-dichlorophenoxy)propanoate
CID 55393660
N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine
CID 175127360
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9354319
(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine
CID 9354208

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine (CID 9353919) is (Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine is COc1ccc(-c2noc(CO/N=C\c3ccc(Cl)cc3)n2)c(OC)c1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
The InChIKey is OYMPUVKPBYCJRH-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-23-14-7-8-15(16(9-14)24-2)18-21-17(26-22-18)11-25-20-10-12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3/b20-10-.
What are the key properties of (Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
(Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine has a molecular weight of 373.80 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine is sourced from PubChem (CID 9353919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).