2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

C8H11F3N4O2 — CID 114184050

IUPAC2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCc1ncon1)NCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-13-7(16)3-12-2-1-6-14-5-17-15-6/h5,12H,1-4H2,(H,13,16)
InChIKeyPAXIRWTTYCMKAW-UHFFFAOYSA-N
MW252.20 g/mol
LogP-0.12
Rot. Bonds6

About 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114184050) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114184050
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCc1ncon1)NCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-13-7(16)3-12-2-1-6-14-5-17-15-6/h5,12H,1-4H2,(H,13,16)
InChIKeyPAXIRWTTYCMKAW-UHFFFAOYSA-N
XLogP-0.12
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 114184050) is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCCc1ncon1)NCC(F)(F)F.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PAXIRWTTYCMKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c9-8(10,11)4-13-7(16)3-12-2-1-6-14-5-17-15-6/h5,12H,1-4H2,(H,13,16).
What are the key properties of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.20 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114184050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).