N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C8H11F3N4O2 — CID 113253177

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCc1ncno1
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-12-3-6(16)13-2-1-7-14-5-15-17-7/h5,12H,1-4H2,(H,13,16)
InChIKeyJCCRHYUPBCBZCW-UHFFFAOYSA-N
MW252.20 g/mol
LogP-0.12
Rot. Bonds6

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113253177) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113253177
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCc1ncno1
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-12-3-6(16)13-2-1-7-14-5-15-17-7/h5,12H,1-4H2,(H,13,16)
InChIKeyJCCRHYUPBCBZCW-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113253177) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JCCRHYUPBCBZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c9-8(10,11)4-12-3-6(16)13-2-1-7-14-5-15-17-7/h5,12H,1-4H2,(H,13,16).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)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 N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113253177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).