N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide

C11H8F3N3O2 — CID 2811205

IUPACN'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1ccno1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)16-17-10(18)9-5-6-15-19-9/h1-6,16H,(H,17,18)
InChIKeyXPTHJHFEFHBVDE-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.45
Rot. Bonds3

About N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide

N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide (PubChem CID 2811205) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide
PubChem CID2811205
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1ccno1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)16-17-10(18)9-5-6-15-19-9/h1-6,16H,(H,17,18)
InChIKeyXPTHJHFEFHBVDE-UHFFFAOYSA-N
XLogP2.45
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.45
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-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide (CID 2811205) is N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide is O=C(NNc1ccccc1C(F)(F)F)c1ccno1.
What is the InChIKey of N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide?
The InChIKey is XPTHJHFEFHBVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)16-17-10(18)9-5-6-15-19-9/h1-6,16H,(H,17,18).
What are the key properties of N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide?
N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide has a molecular weight of 271.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 2811205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).