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

C21H19Cl3F3N3O2 — CID 56645751

IUPACN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C21H19Cl3F3N3O2/c1-19(2,3)18(31)29-28-16-6-11(4-5-15(16)24)17-10-20(32-30-17,21(25,26)27)12-7-13(22)9-14(23)8-12/h4-9,28H,10H2,1-3H3,(H,29,31)
InChIKeyZJADJEMQEVBCHR-UHFFFAOYSA-N
MW508.76 g/mol
LogP6.72
Rot. Bonds4

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

N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide (PubChem CID 56645751) has the molecular formula C21H19Cl3F3N3O2 and a molecular weight of 508.76 g/mol. Its IUPAC name is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide
PubChem CID56645751
Molecular FormulaC21H19Cl3F3N3O2
Molecular Weight508.76 g/mol
Exact Mass507.05
IUPAC NameN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C21H19Cl3F3N3O2/c1-19(2,3)18(31)29-28-16-6-11(4-5-15(16)24)17-10-20(32-30-17,21(25,26)27)12-7-13(22)9-14(23)8-12/h4-9,28H,10H2,1-3H3,(H,29,31)
InChIKeyZJADJEMQEVBCHR-UHFFFAOYSA-N
XLogP6.72
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.76
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide (CID 56645751) is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide is CC(C)(C)C(=O)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl.
What is the InChIKey of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide?
The InChIKey is ZJADJEMQEVBCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3F3N3O2/c1-19(2,3)18(31)29-28-16-6-11(4-5-15(16)24)17-10-20(32-30-17,21(25,26)27)12-7-13(22)9-14(23)8-12/h4-9,28H,10H2,1-3H3,(H,29,31).
What are the key properties of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide?
N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide has a molecular weight of 508.76 g/mol, XLogP of 6.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 56645751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).