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

C18H13Cl3F3N3O2 — CID 56645860

IUPACN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide
SMILESCC(=O)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C18H13Cl3F3N3O2/c1-9(28)25-26-15-4-10(2-3-14(15)21)16-8-17(29-27-16,18(22,23)24)11-5-12(19)7-13(20)6-11/h2-7,26H,8H2,1H3,(H,25,28)
InChIKeyADSJGFZVNKEBQO-UHFFFAOYSA-N
MW466.67 g/mol
LogP5.69
Rot. Bonds4

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

N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide (PubChem CID 56645860) has the molecular formula C18H13Cl3F3N3O2 and a molecular weight of 466.67 g/mol. Its IUPAC name is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide
PubChem CID56645860
Molecular FormulaC18H13Cl3F3N3O2
Molecular Weight466.67 g/mol
Exact Mass465.00
IUPAC NameN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide
SMILESCC(=O)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C18H13Cl3F3N3O2/c1-9(28)25-26-15-4-10(2-3-14(15)21)16-8-17(29-27-16,18(22,23)24)11-5-12(19)7-13(20)6-11/h2-7,26H,8H2,1H3,(H,25,28)
InChIKeyADSJGFZVNKEBQO-UHFFFAOYSA-N
XLogP5.69
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 55.69
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]acetohydrazide?
The IUPAC name of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide (CID 56645860) is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide.
What is the SMILES notation for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide?
The canonical SMILES for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide is CC(=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]acetohydrazide?
The InChIKey is ADSJGFZVNKEBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3F3N3O2/c1-9(28)25-26-15-4-10(2-3-14(15)21)16-8-17(29-27-16,18(22,23)24)11-5-12(19)7-13(20)6-11/h2-7,26H,8H2,1H3,(H,25,28).
What are the key properties of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide?
N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide has a molecular weight of 466.67 g/mol, XLogP of 5.69, 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]acetohydrazide is sourced from PubChem (CID 56645860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).