methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate

C21H19FN2O4S — CID 85335184

IUPACmethyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1ccccc1COc1nc(-c2ccccc2F)sc1C
InChIInChI=1S/C21H19FN2O4S/c1-13-19(23-20(29-13)16-10-6-7-11-17(16)22)28-12-14-8-4-5-9-15(14)18(24-27-3)21(25)26-2/h4-11H,12H2,1-3H3
InChIKeyWGEOJUUJRAHNHR-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.36
Rot. Bonds7

About methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate

methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate (PubChem CID 85335184) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate
PubChem CID85335184
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Namemethyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1ccccc1COc1nc(-c2ccccc2F)sc1C
InChIInChI=1S/C21H19FN2O4S/c1-13-19(23-20(29-13)16-10-6-7-11-17(16)22)28-12-14-8-4-5-9-15(14)18(24-27-3)21(25)26-2/h4-11H,12H2,1-3H3
InChIKeyWGEOJUUJRAHNHR-UHFFFAOYSA-N
XLogP4.36
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.36
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'}

Analyze methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate with MolForge

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Related Compounds

ethane;methyl (2E)-2-methoxyimino-2-[2-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]phenyl]acetate
CID 172952412
2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide
CID 91184019
ethane;methyl (2E)-2-methoxyimino-2-[2-[[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-3,5-dimethyl-2-pyridinyl]oxymethyl]phenyl]acetate
CID 54198306
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
methyl (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 157023984
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
CID 139669242
methyl (2E)-2-methoxyimino-2-[2-[[(Z)-1-(5-methylthiadiazol-4-yl)ethylideneamino]oxymethyl]phenyl]acetate
CID 130291848
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
methyl (2E)-2-[2-[(4-iodo-2-methylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 22864172
(2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 10237982

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate?
The IUPAC name of methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate (CID 85335184) is methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate is CON=C(C(=O)OC)c1ccccc1COc1nc(-c2ccccc2F)sc1C.
What is the InChIKey of methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate?
The InChIKey is WGEOJUUJRAHNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-13-19(23-20(29-13)16-10-6-7-11-17(16)22)28-12-14-8-4-5-9-15(14)18(24-27-3)21(25)26-2/h4-11H,12H2,1-3H3.
What are the key properties of methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate?
methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate has a molecular weight of 414.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 85335184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).