5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide

C9H13F3N4O2 — CID 63583927

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCN(Cc1cc(C(=O)NN)no1)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-2-16(5-9(10,11)12)4-6-3-7(15-18-6)8(17)14-13/h3H,2,4-5,13H2,1H3,(H,14,17)
InChIKeyDGPVUSOKAUMZPW-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.66
Rot. Bonds5

About 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63583927) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63583927
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCN(Cc1cc(C(=O)NN)no1)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-2-16(5-9(10,11)12)4-6-3-7(15-18-6)8(17)14-13/h3H,2,4-5,13H2,1H3,(H,14,17)
InChIKeyDGPVUSOKAUMZPW-UHFFFAOYSA-N
XLogP0.66
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.66
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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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 63583927) is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CCN(Cc1cc(C(=O)NN)no1)CC(F)(F)F.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is DGPVUSOKAUMZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-2-16(5-9(10,11)12)4-6-3-7(15-18-6)8(17)14-13/h3H,2,4-5,13H2,1H3,(H,14,17).
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 266.22 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63583927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).