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

C17H14Cl2F3N3O — CID 58533509

IUPAC[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine
SMILESCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NN
InChIInChI=1S/C17H14Cl2F3N3O/c1-9-2-3-10(4-14(9)24-23)15-8-16(26-25-15,17(20,21)22)11-5-12(18)7-13(19)6-11/h2-7,24H,8,23H2,1H3
InChIKeySRCABPBSRIZPPM-UHFFFAOYSA-N
MW404.22 g/mol
LogP5.17
Rot. Bonds3

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

[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine (PubChem CID 58533509) has the molecular formula C17H14Cl2F3N3O and a molecular weight of 404.22 g/mol. Its IUPAC name is [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine.

Molecular Properties

Compound Name[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine
PubChem CID58533509
Molecular FormulaC17H14Cl2F3N3O
Molecular Weight404.22 g/mol
Exact Mass403.05
IUPAC Name[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine
SMILESCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NN
InChIInChI=1S/C17H14Cl2F3N3O/c1-9-2-3-10(4-14(9)24-23)15-8-16(26-25-15,17(20,21)22)11-5-12(18)7-13(19)6-11/h2-7,24H,8,23H2,1H3
InChIKeySRCABPBSRIZPPM-UHFFFAOYSA-N
XLogP5.17
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.22
LogP ≤ 55.17
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-methylphenyl]hydrazine?
The IUPAC name of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine (CID 58533509) is [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine.
What is the SMILES notation for [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine?
The canonical SMILES for [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine is Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NN.
What is the InChIKey of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine?
The InChIKey is SRCABPBSRIZPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O/c1-9-2-3-10(4-14(9)24-23)15-8-16(26-25-15,17(20,21)22)11-5-12(18)7-13(19)6-11/h2-7,24H,8,23H2,1H3.
What are the key properties of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine?
[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]hydrazine has a molecular weight of 404.22 g/mol, XLogP of 5.17, 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-methylphenyl]hydrazine is sourced from PubChem (CID 58533509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).