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

C19H16Cl2F3N3O2 — CID 56645447

IUPACN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide
SMILESCC(=O)NN(C)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C19H16Cl2F3N3O2/c1-11(28)25-27(2)16-5-3-4-12(6-16)17-10-18(29-26-17,19(22,23)24)13-7-14(20)9-15(21)8-13/h3-9H,10H2,1-2H3,(H,25,28)
InChIKeyVHNHIXFUFIQGKI-UHFFFAOYSA-N
MW446.26 g/mol
LogP5.06
Rot. Bonds4

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

N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide (PubChem CID 56645447) has the molecular formula C19H16Cl2F3N3O2 and a molecular weight of 446.26 g/mol. Its IUPAC name is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide
PubChem CID56645447
Molecular FormulaC19H16Cl2F3N3O2
Molecular Weight446.26 g/mol
Exact Mass445.06
IUPAC NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide
SMILESCC(=O)NN(C)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C19H16Cl2F3N3O2/c1-11(28)25-27(2)16-5-3-4-12(6-16)17-10-18(29-26-17,19(22,23)24)13-7-14(20)9-15(21)8-13/h3-9H,10H2,1-2H3,(H,25,28)
InChIKeyVHNHIXFUFIQGKI-UHFFFAOYSA-N
XLogP5.06
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.26
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 17751093
CID 17751093
CID 25015159
CID 25015159
CID 25216767
CID 25216767
CID 53628303
CID 53628303
CID 53628304
CID 53628304
CID 53628309
CID 53628309
CID 53628311
CID 53628311
CID 53628312
CID 53628312
CID 53628313
CID 53628313
CID 53628314
CID 53628314
CID 53628315
CID 53628315
CID 53628317
CID 53628317

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide?
The IUPAC name of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide (CID 56645447) is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide.
What is the SMILES notation for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide?
The canonical SMILES for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide is CC(=O)NN(C)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1.
What is the InChIKey of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide?
The InChIKey is VHNHIXFUFIQGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3N3O2/c1-11(28)25-27(2)16-5-3-4-12(6-16)17-10-18(29-26-17,19(22,23)24)13-7-14(20)9-15(21)8-13/h3-9H,10H2,1-2H3,(H,25,28).
What are the key properties of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide?
N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide has a molecular weight of 446.26 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N'-methylacetohydrazide is sourced from PubChem (CID 56645447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).