N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C20H15ClF4N4O3 — CID 138629904

IUPACN-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(/C=N\OCc1ccc(F)cc1Cl)NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H15ClF4N4O3/c1-11(9-26-31-10-14-5-6-15(22)8-16(14)21)27-18(30)13-4-2-3-12(7-13)17-28-19(32-29-17)20(23,24)25/h2-9,11H,10H2,1H3,(H,27,30)/b26-9-
InChIKeyRUBKARQSWKMYEY-WMDMUMDLSA-N
MW470.81 g/mol
LogP4.87
Rot. Bonds7

About N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 138629904) has the molecular formula C20H15ClF4N4O3 and a molecular weight of 470.81 g/mol. Its IUPAC name is N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID138629904
Molecular FormulaC20H15ClF4N4O3
Molecular Weight470.81 g/mol
Exact Mass470.08
IUPAC NameN-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(/C=N\OCc1ccc(F)cc1Cl)NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H15ClF4N4O3/c1-11(9-26-31-10-14-5-6-15(22)8-16(14)21)27-18(30)13-4-2-3-12(7-13)17-28-19(32-29-17)20(23,24)25/h2-9,11H,10H2,1H3,(H,27,30)/b26-9-
InChIKeyRUBKARQSWKMYEY-WMDMUMDLSA-N
XLogP4.87
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.81
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138629944
N-[(1E)-1-(2-fluoroethoxyimino)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138629849
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[(4E)-4-[[3-(trifluoromethyl)phenyl]methoxyimino]butan-2-yl]benzamide
CID 138667968
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 92895825
1-propan-2-yl-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 54470353
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
N-[1-[(2,6-dichlorophenyl)methoxy-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138668398
N-[[2-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyacetamide
CID 135326208
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 53345129
N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
N-[2-methyl-2-(3-phenylphenyl)propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 67379157
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-one
CID 159000305

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 138629904) is N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CC(/C=N\OCc1ccc(F)cc1Cl)NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is RUBKARQSWKMYEY-WMDMUMDLSA-N. The full InChI is InChI=1S/C20H15ClF4N4O3/c1-11(9-26-31-10-14-5-6-15(22)8-16(14)21)27-18(30)13-4-2-3-12(7-13)17-28-19(32-29-17)20(23,24)25/h2-9,11H,10H2,1H3,(H,27,30)/b26-9-.
What are the key properties of N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 470.81 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 138629904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).