(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).