(E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine

C18H14Cl2F3N3O — CID 87402989

IUPAC(E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1/C=N/N
InChIInChI=1S/C18H14Cl2F3N3O/c1-10-4-11(2-3-12(10)9-25-24)16-8-17(27-26-16,18(21,22)23)13-5-14(19)7-15(20)6-13/h2-7,9H,8,24H2,1H3/b25-9+
InChIKeyWDHIAWZCIREQLL-YCPBAFNGSA-N
MW416.23 g/mol
LogP5.18
Rot. Bonds3

About (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine

(E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine (PubChem CID 87402989) has the molecular formula C18H14Cl2F3N3O and a molecular weight of 416.23 g/mol. Its IUPAC name is (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine.

Molecular Properties

Compound Name(E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine
PubChem CID87402989
Molecular FormulaC18H14Cl2F3N3O
Molecular Weight416.23 g/mol
Exact Mass415.05
IUPAC Name(E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1/C=N/N
InChIInChI=1S/C18H14Cl2F3N3O/c1-10-4-11(2-3-12(10)9-25-24)16-8-17(27-26-16,18(21,22)23)13-5-14(19)7-15(20)6-13/h2-7,9H,8,24H2,1H3/b25-9+
InChIKeyWDHIAWZCIREQLL-YCPBAFNGSA-N
XLogP5.18
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.23
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine 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

5-(3,5-Dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-trifluoromethyl-4,5-dihydroisoxazole
CID 23159813
5-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chloro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 25157374
3-(4-chloro-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 25157663
3-[4-(Aminomethyl)phenyl]-5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole
CID 44628234
2-[(E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylideneamino]oxyacetic acid
CID 46701801
N-(5-(5-(3,5-dichlorophenyl)-4,5-dihydro-5-trifluoromethyl-3-isoxazolyl)-2-methylphenyl)methoxyacetamide
CID 53628316
2-(Bromomethyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzonitrile
CID 58200073
3-[3,4-Bis(bromomethyl)phenyl]-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-isoxazole
CID 58200076
4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]-2-methylbenzonitrile
CID 58200108
5-(3,5-Dichlorophenyl) 3-(4-methylphenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 58223543
5-(3,5-Dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazole
CID 58223544
3-[3-(azidomethyl)-4-fluorophenyl]-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 58339730

Frequently Asked Questions

What is the IUPAC name of (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine?
The IUPAC name of (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine (CID 87402989) is (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine.
What is the SMILES notation for (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine?
The canonical SMILES for (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1/C=N/N.
What is the InChIKey of (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine?
The InChIKey is WDHIAWZCIREQLL-YCPBAFNGSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3O/c1-10-4-11(2-3-12(10)9-25-24)16-8-17(27-26-16,18(21,22)23)13-5-14(19)7-15(20)6-13/h2-7,9H,8,24H2,1H3/b25-9+.
What are the key properties of (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine?
(E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine has a molecular weight of 416.23 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methylidenehydrazine is sourced from PubChem (CID 87402989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).