3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide

C8H12F3N5O2 — CID 106400188

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCCc1ncno1)C(F)(F)F
InChIInChI=1S/C8H12F3N5O2/c9-8(10,11)5(7(12)16-17)3-13-2-1-6-14-4-15-18-6/h4-5,13,17H,1-3H2,(H2,12,16)
InChIKeyRZLFINWTCUEVNZ-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.13
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide (PubChem CID 106400188) has the molecular formula C8H12F3N5O2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide
PubChem CID106400188
Molecular FormulaC8H12F3N5O2
Molecular Weight267.21 g/mol
Exact Mass267.09
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCCc1ncno1)C(F)(F)F
InChIInChI=1S/C8H12F3N5O2/c9-8(10,11)5(7(12)16-17)3-13-2-1-6-14-4-15-18-6/h4-5,13,17H,1-3H2,(H2,12,16)
InChIKeyRZLFINWTCUEVNZ-UHFFFAOYSA-N
XLogP0.13
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide (CID 106400188) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide is NC(=NO)C(CNCCc1ncno1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide?
The InChIKey is RZLFINWTCUEVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O2/c9-8(10,11)5(7(12)16-17)3-13-2-1-6-14-4-15-18-6/h4-5,13,17H,1-3H2,(H2,12,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide has a molecular weight of 267.21 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide is sourced from PubChem (CID 106400188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).