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

C16H11Cl3F3N3O — CID 58533517

IUPAC[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine
SMILESNNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C16H11Cl3F3N3O/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
InChIKeyQPEZSXRKLNMCJA-UHFFFAOYSA-N
MW424.64 g/mol
LogP5.51
Rot. Bonds3

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

[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine (PubChem CID 58533517) has the molecular formula C16H11Cl3F3N3O and a molecular weight of 424.64 g/mol. Its IUPAC name is [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine
PubChem CID58533517
Molecular FormulaC16H11Cl3F3N3O
Molecular Weight424.64 g/mol
Exact Mass422.99
IUPAC Name[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine
SMILESNNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C16H11Cl3F3N3O/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
InChIKeyQPEZSXRKLNMCJA-UHFFFAOYSA-N
XLogP5.51
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.64
LogP ≤ 55.51
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 [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine?
The IUPAC name of [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine (CID 58533517) is [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine.
What is the SMILES notation for [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine?
The canonical SMILES for [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine is NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl.
What is the InChIKey of [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine?
The InChIKey is QPEZSXRKLNMCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3F3N3O/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 [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine?
[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine has a molecular weight of 424.64 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine is sourced from PubChem (CID 58533517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).