methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate

C16H17NO6 — CID 7704176

IUPACmethyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CO/N=C\c2cccc(OC)c2OC)o1
InChIInChI=1S/C16H17NO6/c1-19-13-6-4-5-11(15(13)20-2)9-17-22-10-12-7-8-14(23-12)16(18)21-3/h4-9H,10H2,1-3H3/b17-9-
InChIKeyFRUSZPIJOKKUPV-MFOYZWKCSA-N
MW319.31 g/mol
LogP2.63
Rot. Bonds7

About methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate

methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate (PubChem CID 7704176) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate
PubChem CID7704176
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Namemethyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CO/N=C\c2cccc(OC)c2OC)o1
InChIInChI=1S/C16H17NO6/c1-19-13-6-4-5-11(15(13)20-2)9-17-22-10-12-7-8-14(23-12)16(18)21-3/h4-9H,10H2,1-3H3/b17-9-
InChIKeyFRUSZPIJOKKUPV-MFOYZWKCSA-N
XLogP2.63
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.63
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

2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(4-ethylphenyl)acetamide
CID 7703851
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067
methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate
CID 6905552
methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate
CID 7665331
(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine
CID 9354666
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7704045
N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7704038
methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 7695683
methyl 5-[[(4E)-4-[(2-acetyloxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6281941
methyl 5-[[4-[(2-acetyloxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 5138938
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-ethoxyphenyl)acetamide
CID 7703795

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate (CID 7704176) is methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(CO/N=C\c2cccc(OC)c2OC)o1.
What is the InChIKey of methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate?
The InChIKey is FRUSZPIJOKKUPV-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H17NO6/c1-19-13-6-4-5-11(15(13)20-2)9-17-22-10-12-7-8-14(23-12)16(18)21-3/h4-9H,10H2,1-3H3/b17-9-.
What are the key properties of methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate?
methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate has a molecular weight of 319.31 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7704176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).