5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide

C11H8F3N3O3 — CID 86711960

IUPAC5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)on1
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)19-7-3-1-6(2-4-7)9-5-8(17-20-9)10(18)16-15/h1-5H,15H2,(H,16,18)
InChIKeyLFKKJWLMUGOLOB-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.84
Rot. Bonds3

About 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide

5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 86711960) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
PubChem CID86711960
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)on1
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)19-7-3-1-6(2-4-7)9-5-8(17-20-9)10(18)16-15/h1-5H,15H2,(H,16,18)
InChIKeyLFKKJWLMUGOLOB-UHFFFAOYSA-N
XLogP1.84
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685908
5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 3240709
[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 42281871
N-(sec-butyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 3240005
5-(4-methoxyphenyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 3243149
5-(4-methoxyphenyl)-N-propan-2-yl-3-isoxazolecarboxamide
CID 3243647
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-methyl-N'-[4-(trifluoromethyl)benzoyl]-3-isoxazolecarbohydrazide
CID 2744353
5-methyl-N'-[3-(trifluoromethyl)benzoyl]-3-isoxazolecarbohydrazide
CID 2744590
5-Phenylisoxazole-3-carboxylic acid hydrazide
CID 9361723
5-(4-Methoxyphenyl)-1,2-oxazole-3-carbaldehyde
CID 16217810
4-[7-(3-Methylisoxazol-5-yl)heptoxy]benzohydrazide
CID 5271196

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide (CID 86711960) is 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)on1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is LFKKJWLMUGOLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c12-11(13,14)19-7-3-1-6(2-4-7)9-5-8(17-20-9)10(18)16-15/h1-5H,15H2,(H,16,18).
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide?
5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 287.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 86711960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).