(E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine

C20H20N2O4 — CID 43055474

IUPAC(E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine
SMILESCCOc1ccc(/C=N/OCc2cc(-c3ccccc3OC)no2)cc1
InChIInChI=1S/C20H20N2O4/c1-3-24-16-10-8-15(9-11-16)13-21-25-14-17-12-19(22-26-17)18-6-4-5-7-20(18)23-2/h4-13H,3,14H2,1-2H3/b21-13+
InChIKeyHGQDTDXHOCHANC-FYJGNVAPSA-N
MW352.39 g/mol
LogP4.30
Rot. Bonds8

About (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine

(E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine (PubChem CID 43055474) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine
PubChem CID43055474
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine
SMILESCCOc1ccc(/C=N/OCc2cc(-c3ccccc3OC)no2)cc1
InChIInChI=1S/C20H20N2O4/c1-3-24-16-10-8-15(9-11-16)13-21-25-14-17-12-19(22-26-17)18-6-4-5-7-20(18)23-2/h4-13H,3,14H2,1-2H3/b21-13+
InChIKeyHGQDTDXHOCHANC-FYJGNVAPSA-N
XLogP4.30
TPSA66.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine
CID 36565245
(Z)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethoxyphenyl)methanimine
CID 9354521
(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine
CID 6219023
3-(2-ethoxyphenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6880808
4-[(4-ethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2896918
5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585123
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421871
(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine
CID 9355027
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3927035
(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566915
1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine?
The IUPAC name of (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine (CID 43055474) is (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine.
What is the SMILES notation for (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine?
The canonical SMILES for (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine is CCOc1ccc(/C=N/OCc2cc(-c3ccccc3OC)no2)cc1.
What is the InChIKey of (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine?
The InChIKey is HGQDTDXHOCHANC-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-24-16-10-8-15(9-11-16)13-21-25-14-17-12-19(22-26-17)18-6-4-5-7-20(18)23-2/h4-13H,3,14H2,1-2H3/b21-13+.
What are the key properties of (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine?
(E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine has a molecular weight of 352.39 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine is sourced from PubChem (CID 43055474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).