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

C18H16ClN3O2 — CID 9354208

IUPAC(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N\OCc2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-2-13-6-8-14(9-7-13)11-20-23-12-17-21-18(22-24-17)15-4-3-5-16(19)10-15/h3-11H,2,12H2,1H3/b20-11-
InChIKeyISMAVCPYGSGYCI-JAIQZWGSSA-N
MW341.80 g/mol
LogP4.50
Rot. Bonds6

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

(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine (PubChem CID 9354208) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is (Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine
PubChem CID9354208
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N\OCc2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-2-13-6-8-14(9-7-13)11-20-23-12-17-21-18(22-24-17)15-4-3-5-16(19)10-15/h3-11H,2,12H2,1H3/b20-11-
InChIKeyISMAVCPYGSGYCI-JAIQZWGSSA-N
XLogP4.50
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9354319
(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine
CID 7702638
(E)-1-(4-chlorophenyl)-N-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 78817364
(Z)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethoxyphenyl)methanimine
CID 9354521
3-(3-chlorophenyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 9137901
(Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9353919
5-[(4-ethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8895405
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-hydroxybenzoate
CID 9412685
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62505666
(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine
CID 9355027

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine?
The IUPAC name of (Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine (CID 9354208) is (Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine.
What is the SMILES notation for (Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine?
The canonical SMILES for (Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine is CCc1ccc(/C=N\OCc2nc(-c3cccc(Cl)c3)no2)cc1.
What is the InChIKey of (Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine?
The InChIKey is ISMAVCPYGSGYCI-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-2-13-6-8-14(9-7-13)11-20-23-12-17-21-18(22-24-17)15-4-3-5-16(19)10-15/h3-11H,2,12H2,1H3/b20-11-.
What are the key properties of (Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine?
(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine has a molecular weight of 341.80 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine is sourced from PubChem (CID 9354208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).