(Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine

C17H16N2O5 — CID 9354663

IUPAC(Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine
SMILESCOc1cccc(/C=N\OCc2cc(-c3ccco3)on2)c1OC
InChIInChI=1S/C17H16N2O5/c1-20-15-6-3-5-12(17(15)21-2)10-18-23-11-13-9-16(24-19-13)14-7-4-8-22-14/h3-10H,11H2,1-2H3/b18-10-
InChIKeyKFXNYQYYXGJPCY-ZDLGFXPLSA-N
MW328.32 g/mol
LogP3.50
Rot. Bonds7

About (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine

(Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine (PubChem CID 9354663) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine
PubChem CID9354663
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine
SMILESCOc1cccc(/C=N\OCc2cc(-c3ccco3)on2)c1OC
InChIInChI=1S/C17H16N2O5/c1-20-15-6-3-5-12(17(15)21-2)10-18-23-11-13-9-16(24-19-13)14-7-4-8-22-14/h3-10H,11H2,1-2H3/b18-10-
InChIKeyKFXNYQYYXGJPCY-ZDLGFXPLSA-N
XLogP3.50
TPSA79.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-1-(2-methoxyphenyl)methanimine
CID 9353782
(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine
CID 9354666
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 9019172
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608053
4-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
CID 5424979
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 8543519
3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
CID 112797314
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-4-methoxybenzamide
CID 18089227
methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate
CID 7704176
5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole
CID 42891337
5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole
CID 112797313

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine?
The IUPAC name of (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine (CID 9354663) is (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine.
What is the SMILES notation for (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine?
The canonical SMILES for (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine is COc1cccc(/C=N\OCc2cc(-c3ccco3)on2)c1OC.
What is the InChIKey of (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine?
The InChIKey is KFXNYQYYXGJPCY-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-20-15-6-3-5-12(17(15)21-2)10-18-23-11-13-9-16(24-19-13)14-7-4-8-22-14/h3-10H,11H2,1-2H3/b18-10-.
What are the key properties of (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine?
(Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine has a molecular weight of 328.32 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine is sourced from PubChem (CID 9354663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).