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

C18H14Cl2F3N3O2 — CID 56645445

IUPACN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide
SMILESCC(=O)NNc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C18H14Cl2F3N3O2/c1-10(27)24-25-15-4-2-3-11(5-15)16-9-17(28-26-16,18(21,22)23)12-6-13(19)8-14(20)7-12/h2-8,25H,9H2,1H3,(H,24,27)
InChIKeyDHGPOYAFIZIVGC-UHFFFAOYSA-N
MW432.23 g/mol
LogP5.04
Rot. Bonds4

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

N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide (PubChem CID 56645445) has the molecular formula C18H14Cl2F3N3O2 and a molecular weight of 432.23 g/mol. Its IUPAC name is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide
PubChem CID56645445
Molecular FormulaC18H14Cl2F3N3O2
Molecular Weight432.23 g/mol
Exact Mass431.04
IUPAC NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide
SMILESCC(=O)NNc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C18H14Cl2F3N3O2/c1-10(27)24-25-15-4-2-3-11(5-15)16-9-17(28-26-16,18(21,22)23)12-6-13(19)8-14(20)7-12/h2-8,25H,9H2,1H3,(H,24,27)
InChIKeyDHGPOYAFIZIVGC-UHFFFAOYSA-N
XLogP5.04
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 55.04
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'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide?
The IUPAC name of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide (CID 56645445) is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide.
What is the SMILES notation for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide?
The canonical SMILES for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide is CC(=O)NNc1cccc(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]acetohydrazide?
The InChIKey is DHGPOYAFIZIVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3O2/c1-10(27)24-25-15-4-2-3-11(5-15)16-9-17(28-26-16,18(21,22)23)12-6-13(19)8-14(20)7-12/h2-8,25H,9H2,1H3,(H,24,27).
What are the key properties of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide?
N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]acetohydrazide has a molecular weight of 432.23 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 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]acetohydrazide is sourced from PubChem (CID 56645445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).