2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C8H11F3N4O2 — CID 114183769

IUPAC2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1ncon1)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-5(7(16)13-3-8(9,10)11)12-2-6-14-4-17-15-6/h4-5,12H,2-3H2,1H3,(H,13,16)
InChIKeyDUIPFXADJRQESH-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.23
Rot. Bonds5

About 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 114183769) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID114183769
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1ncon1)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-5(7(16)13-3-8(9,10)11)12-2-6-14-4-17-15-6/h4-5,12H,2-3H2,1H3,(H,13,16)
InChIKeyDUIPFXADJRQESH-UHFFFAOYSA-N
XLogP0.23
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 114183769) is 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NCc1ncon1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DUIPFXADJRQESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-5(7(16)13-3-8(9,10)11)12-2-6-14-4-17-15-6/h4-5,12H,2-3H2,1H3,(H,13,16).
What are the key properties of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 252.20 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 114183769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).