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

C10H13F3N4O2 — CID 63585404

IUPAC5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CN(CC(F)(F)F)C2CC2)on1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)5-17(6-1-2-6)4-7-3-8(16-19-7)9(18)15-14/h3,6H,1-2,4-5,14H2,(H,15,18)
InChIKeyFCLLYWBNMOEZGH-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.80
Rot. Bonds5

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

5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63585404) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63585404
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CN(CC(F)(F)F)C2CC2)on1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)5-17(6-1-2-6)4-7-3-8(16-19-7)9(18)15-14/h3,6H,1-2,4-5,14H2,(H,15,18)
InChIKeyFCLLYWBNMOEZGH-UHFFFAOYSA-N
XLogP0.80
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.80
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-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 63585404) is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(CN(CC(F)(F)F)C2CC2)on1.
What is the InChIKey of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is FCLLYWBNMOEZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)5-17(6-1-2-6)4-7-3-8(16-19-7)9(18)15-14/h3,6H,1-2,4-5,14H2,(H,15,18).
What are the key properties of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 278.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63585404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).