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

C18H16Cl2F3N3O — CID 58533522

IUPAC[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine
SMILESCCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NN
InChIInChI=1S/C18H16Cl2F3N3O/c1-2-10-3-4-11(5-15(10)25-24)16-9-17(27-26-16,18(21,22)23)12-6-13(19)8-14(20)7-12/h3-8,25H,2,9,24H2,1H3
InChIKeyVXEVYCQNTOSTQT-UHFFFAOYSA-N
MW418.25 g/mol
LogP5.42
Rot. Bonds4

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

[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine (PubChem CID 58533522) has the molecular formula C18H16Cl2F3N3O and a molecular weight of 418.25 g/mol. Its IUPAC name is [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine.

Molecular Properties

Compound Name[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine
PubChem CID58533522
Molecular FormulaC18H16Cl2F3N3O
Molecular Weight418.25 g/mol
Exact Mass417.06
IUPAC Name[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine
SMILESCCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NN
InChIInChI=1S/C18H16Cl2F3N3O/c1-2-10-3-4-11(5-15(10)25-24)16-9-17(27-26-16,18(21,22)23)12-6-13(19)8-14(20)7-12/h3-8,25H,2,9,24H2,1H3
InChIKeyVXEVYCQNTOSTQT-UHFFFAOYSA-N
XLogP5.42
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.25
LogP ≤ 55.42
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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Related Compounds

3-(4-Amino-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole
CID 23159824
N-(5-(5-(3,5-dichlorophenyl)-4,5-dihydro-5-trifluoromethyl-3-isoxazolyl)-2-methylphenyl)isobutyramide
CID 53628309
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 53628311
N'-{2-chloro-5-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]phenyl}-4-bromobutyrohydrazide
CID 56645333
N'-{2-chloro-5-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]phenyl}-3-chloropivalohydrazide
CID 56645334
2-bromo-N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide
CID 56645335
N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]-3,3,3-trifluoropropanehydrazide
CID 56645336
N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide
CID 56645445
N-methyl-N'-{3-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]phenyl}acetohydrazide
CID 56645446
N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide
CID 56645447
N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide
CID 56645659
N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide
CID 56645660

Frequently Asked Questions

What is the IUPAC name of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine?
The IUPAC name of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine (CID 58533522) is [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine.
What is the SMILES notation for [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine?
The canonical SMILES for [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine is CCc1ccc(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-ethylphenyl]hydrazine?
The InChIKey is VXEVYCQNTOSTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3N3O/c1-2-10-3-4-11(5-15(10)25-24)16-9-17(27-26-16,18(21,22)23)12-6-13(19)8-14(20)7-12/h3-8,25H,2,9,24H2,1H3.
What are the key properties of [5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine?
[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylphenyl]hydrazine has a molecular weight of 418.25 g/mol, XLogP of 5.42, 4 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-ethylphenyl]hydrazine is sourced from PubChem (CID 58533522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).