(Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine

C21H22N2O3 — CID 22624658

IUPAC(Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine
SMILESCO/N=C(\c1cc(C)no1)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C21H22N2O3/c1-14-9-10-15(2)19(11-14)25-13-17-7-5-6-8-18(17)21(23-24-4)20-12-16(3)22-26-20/h5-12H,13H2,1-4H3/b23-21-
InChIKeyQYNVTCIYDCILBS-LNVKXUELSA-N
MW350.42 g/mol
LogP4.58
Rot. Bonds6

About (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine

(Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine (PubChem CID 22624658) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine
PubChem CID22624658
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine
SMILESCO/N=C(\c1cc(C)no1)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C21H22N2O3/c1-14-9-10-15(2)19(11-14)25-13-17-7-5-6-8-18(17)21(23-24-4)20-12-16(3)22-26-20/h5-12H,13H2,1-4H3/b23-21-
InChIKeyQYNVTCIYDCILBS-LNVKXUELSA-N
XLogP4.58
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.58
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine?
The IUPAC name of (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine (CID 22624658) is (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine.
What is the SMILES notation for (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine?
The canonical SMILES for (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine is CO/N=C(\c1cc(C)no1)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine?
The InChIKey is QYNVTCIYDCILBS-LNVKXUELSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-9-10-15(2)19(11-14)25-13-17-7-5-6-8-18(17)21(23-24-4)20-12-16(3)22-26-20/h5-12H,13H2,1-4H3/b23-21-.
What are the key properties of (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine?
(Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine has a molecular weight of 350.42 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanimine is sourced from PubChem (CID 22624658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).