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

C21H19Cl3F3N3O2 — CID 56645947

IUPACN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pentanehydrazide
SMILESCCCCC(=O)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C21H19Cl3F3N3O2/c1-2-3-4-19(31)29-28-17-7-12(5-6-16(17)24)18-11-20(32-30-18,21(25,26)27)13-8-14(22)10-15(23)9-13/h5-10,28H,2-4,11H2,1H3,(H,29,31)
InChIKeyXOXOWIIGPOOYSK-UHFFFAOYSA-N
MW508.76 g/mol
LogP6.86
Rot. Bonds7

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

N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pentanehydrazide (PubChem CID 56645947) 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]pentanehydrazide.

Molecular Properties

Compound NameN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pentanehydrazide
PubChem CID56645947
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]pentanehydrazide
SMILESCCCCC(=O)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C21H19Cl3F3N3O2/c1-2-3-4-19(31)29-28-17-7-12(5-6-16(17)24)18-11-20(32-30-18,21(25,26)27)13-8-14(22)10-15(23)9-13/h5-10,28H,2-4,11H2,1H3,(H,29,31)
InChIKeyXOXOWIIGPOOYSK-UHFFFAOYSA-N
XLogP6.86
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.76
LogP ≤ 56.86
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]pentanehydrazide?
The IUPAC name of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pentanehydrazide (CID 56645947) is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pentanehydrazide.
What is the SMILES notation for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pentanehydrazide?
The canonical SMILES for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pentanehydrazide is CCCCC(=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]pentanehydrazide?
The InChIKey is XOXOWIIGPOOYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3F3N3O2/c1-2-3-4-19(31)29-28-17-7-12(5-6-16(17)24)18-11-20(32-30-18,21(25,26)27)13-8-14(22)10-15(23)9-13/h5-10,28H,2-4,11H2,1H3,(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]pentanehydrazide?
N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pentanehydrazide has a molecular weight of 508.76 g/mol, XLogP of 6.86, 7 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]pentanehydrazide is sourced from PubChem (CID 56645947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).