[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine

C16H11Cl2F4N3O — CID 58533526

IUPAC[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine
SMILESNNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1F
InChIInChI=1S/C16H11Cl2F4N3O/c17-10-4-9(5-11(18)6-10)15(16(20,21)22)7-14(25-26-15)8-1-2-12(19)13(3-8)24-23/h1-6,24H,7,23H2
InChIKeyGHGKZADHKAFRBC-UHFFFAOYSA-N
MW408.18 g/mol
LogP5.00
Rot. Bonds3

About [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine

[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine (PubChem CID 58533526) has the molecular formula C16H11Cl2F4N3O and a molecular weight of 408.18 g/mol. Its IUPAC name is [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine.

Molecular Properties

Compound Name[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine
PubChem CID58533526
Molecular FormulaC16H11Cl2F4N3O
Molecular Weight408.18 g/mol
Exact Mass407.02
IUPAC Name[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine
SMILESNNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1F
InChIInChI=1S/C16H11Cl2F4N3O/c17-10-4-9(5-11(18)6-10)15(16(20,21)22)7-14(25-26-15)8-1-2-12(19)13(3-8)24-23/h1-6,24H,7,23H2
InChIKeyGHGKZADHKAFRBC-UHFFFAOYSA-N
XLogP5.00
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.18
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine?
The IUPAC name of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine (CID 58533526) is [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine.
What is the SMILES notation for [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine?
The canonical SMILES for [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine is NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1F.
What is the InChIKey of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine?
The InChIKey is GHGKZADHKAFRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F4N3O/c17-10-4-9(5-11(18)6-10)15(16(20,21)22)7-14(25-26-15)8-1-2-12(19)13(3-8)24-23/h1-6,24H,7,23H2.
What are the key properties of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine?
[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine has a molecular weight of 408.18 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]hydrazine is sourced from PubChem (CID 58533526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).