(E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine

C21H21F3N4O4 — CID 71582680

IUPAC(E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccc(OCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)nc1
InChIInChI=1S/C21H21F3N4O4/c1-4-31-26-12-15-5-6-17(25-11-15)29-7-8-30-18-13(2)9-16(10-14(18)3)19-27-20(32-28-19)21(22,23)24/h5-6,9-12H,4,7-8H2,1-3H3/b26-12+
InChIKeyZBTLNKRSNKVGBZ-RPPGKUMJSA-N
MW450.42 g/mol
LogP4.60
Rot. Bonds9

About (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine

(E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine (PubChem CID 71582680) has the molecular formula C21H21F3N4O4 and a molecular weight of 450.42 g/mol. Its IUPAC name is (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine
PubChem CID71582680
Molecular FormulaC21H21F3N4O4
Molecular Weight450.42 g/mol
Exact Mass450.15
IUPAC Name(E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccc(OCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)nc1
InChIInChI=1S/C21H21F3N4O4/c1-4-31-26-12-15-5-6-17(25-11-15)29-7-8-30-18-13(2)9-16(10-14(18)3)19-27-20(32-28-19)21(22,23)24/h5-6,9-12H,4,7-8H2,1-3H3/b26-12+
InChIKeyZBTLNKRSNKVGBZ-RPPGKUMJSA-N
XLogP4.60
TPSA91.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine?
The IUPAC name of (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine (CID 71582680) is (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine.
What is the SMILES notation for (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine?
The canonical SMILES for (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine is CCO/N=C/c1ccc(OCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)nc1.
What is the InChIKey of (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine?
The InChIKey is ZBTLNKRSNKVGBZ-RPPGKUMJSA-N. The full InChI is InChI=1S/C21H21F3N4O4/c1-4-31-26-12-15-5-6-17(25-11-15)29-7-8-30-18-13(2)9-16(10-14(18)3)19-27-20(32-28-19)21(22,23)24/h5-6,9-12H,4,7-8H2,1-3H3/b26-12+.
What are the key properties of (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine?
(E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine has a molecular weight of 450.42 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine is sourced from PubChem (CID 71582680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).