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

C8H11F3N4O2 — CID 55214218

IUPAC5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(Cc1cc(C(=O)NN)no1)CC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-15(4-8(9,10)11)3-5-2-6(14-17-5)7(16)13-12/h2H,3-4,12H2,1H3,(H,13,16)
InChIKeyJVSOEXWMAGJLKF-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.27
Rot. Bonds4

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

5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 55214218) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID55214218
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(Cc1cc(C(=O)NN)no1)CC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-15(4-8(9,10)11)3-5-2-6(14-17-5)7(16)13-12/h2H,3-4,12H2,1H3,(H,13,16)
InChIKeyJVSOEXWMAGJLKF-UHFFFAOYSA-N
XLogP0.27
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.27
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-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 55214218) is 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CN(Cc1cc(C(=O)NN)no1)CC(F)(F)F.
What is the InChIKey of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is JVSOEXWMAGJLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-15(4-8(9,10)11)3-5-2-6(14-17-5)7(16)13-12/h2H,3-4,12H2,1H3,(H,13,16).
What are the key properties of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 252.20 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55214218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).