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

C10H15F3N4O2 — CID 63585217

IUPAC5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)N(Cc1cc(C(=O)NN)no1)CC(F)(F)F
InChIInChI=1S/C10H15F3N4O2/c1-6(2)17(5-10(11,12)13)4-7-3-8(16-19-7)9(18)15-14/h3,6H,4-5,14H2,1-2H3,(H,15,18)
InChIKeyHFJOELXPNRVTBH-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.05
Rot. Bonds5

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

5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63585217) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63585217
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)N(Cc1cc(C(=O)NN)no1)CC(F)(F)F
InChIInChI=1S/C10H15F3N4O2/c1-6(2)17(5-10(11,12)13)4-7-3-8(16-19-7)9(18)15-14/h3,6H,4-5,14H2,1-2H3,(H,15,18)
InChIKeyHFJOELXPNRVTBH-UHFFFAOYSA-N
XLogP1.05
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.05
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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 63585217) is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CC(C)N(Cc1cc(C(=O)NN)no1)CC(F)(F)F.
What is the InChIKey of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is HFJOELXPNRVTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-6(2)17(5-10(11,12)13)4-7-3-8(16-19-7)9(18)15-14/h3,6H,4-5,14H2,1-2H3,(H,15,18).
What are the key properties of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 280.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63585217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).