(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide

C17H18ClN3O5S — CID 59745093

IUPAC(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide
SMILESCS(=O)(=O)c1ccc(/C(=N\OC2CCCC2)C(=O)Nc2ccon2)cc1Cl
InChIInChI=1S/C17H18ClN3O5S/c1-27(23,24)14-7-6-11(10-13(14)18)16(21-26-12-4-2-3-5-12)17(22)19-15-8-9-25-20-15/h6-10,12H,2-5H2,1H3,(H,19,20,22)/b21-16+
InChIKeyOLGXQENJDKNJFS-LTGZKZEYSA-N
MW411.87 g/mol
LogP3.03
Rot. Bonds6

About (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide

(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 59745093) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide
PubChem CID59745093
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide
SMILESCS(=O)(=O)c1ccc(/C(=N\OC2CCCC2)C(=O)Nc2ccon2)cc1Cl
InChIInChI=1S/C17H18ClN3O5S/c1-27(23,24)14-7-6-11(10-13(14)18)16(21-26-12-4-2-3-5-12)17(22)19-15-8-9-25-20-15/h6-10,12H,2-5H2,1H3,(H,19,20,22)/b21-16+
InChIKeyOLGXQENJDKNJFS-LTGZKZEYSA-N
XLogP3.03
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 53.03
H-Bond Donors ≤ 51
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

(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyimino-N-(1-methylpyrazol-3-yl)acetamide
CID 59745098
methyl (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetate
CID 87416797
(2Z)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid
CID 86620910
4-[[3-[[2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyiminoacetyl]amino]pyrazol-1-yl]methyl]benzamide
CID 74381128
(2E)-N-[1-[(3-acetamidophenyl)methyl]pyrazol-3-yl]-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyiminoacetamide
CID 24990390
(2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide
CID 86620922
N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide
CID 76630402
6-[(Z)-C-(3-chloro-4-methylsulfonylphenyl)-N-cyclopentyloxycarbonimidoyl]-3-methyl-1H-pyridin-2-one
CID 58452257
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 16592158
(2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide
CID 143392846
2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide
CID 76630192
(E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(hydroxymethyl)pyrazin-2-yl]prop-2-enamide
CID 67489018

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide (CID 59745093) is (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide is CS(=O)(=O)c1ccc(/C(=N\OC2CCCC2)C(=O)Nc2ccon2)cc1Cl.
What is the InChIKey of (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is OLGXQENJDKNJFS-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-27(23,24)14-7-6-11(10-13(14)18)16(21-26-12-4-2-3-5-12)17(22)19-15-8-9-25-20-15/h6-10,12H,2-5H2,1H3,(H,19,20,22)/b21-16+.
What are the key properties of (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide?
(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 411.87 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 59745093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).