(E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine

C19H19N3O3 — CID 15346096

IUPAC(E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine
SMILESCO/N=C(/c1ncon1)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H19N3O3/c1-13-8-9-14(2)17(10-13)24-11-15-6-4-5-7-16(15)18(21-23-3)19-20-12-25-22-19/h4-10,12H,11H2,1-3H3/b21-18+
InChIKeyKMEDMWWQAAMEIR-DYTRJAOYSA-N
MW337.38 g/mol
LogP3.66
Rot. Bonds6

About (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine

(E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine (PubChem CID 15346096) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine
PubChem CID15346096
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine
SMILESCO/N=C(/c1ncon1)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H19N3O3/c1-13-8-9-14(2)17(10-13)24-11-15-6-4-5-7-16(15)18(21-23-3)19-20-12-25-22-19/h4-10,12H,11H2,1-3H3/b21-18+
InChIKeyKMEDMWWQAAMEIR-DYTRJAOYSA-N
XLogP3.66
TPSA69.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine?
The IUPAC name of (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine (CID 15346096) is (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine.
What is the SMILES notation for (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine?
The canonical SMILES for (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine is CO/N=C(/c1ncon1)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine?
The InChIKey is KMEDMWWQAAMEIR-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-8-9-14(2)17(10-13)24-11-15-6-4-5-7-16(15)18(21-23-3)19-20-12-25-22-19/h4-10,12H,11H2,1-3H3/b21-18+.
What are the key properties of (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine?
(E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine has a molecular weight of 337.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine is sourced from PubChem (CID 15346096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).