N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C7H9F3N4O2 — CID 106396923

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ncon1
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-11-2-6(15)12-1-5-13-4-16-14-5/h4,11H,1-3H2,(H,12,15)
InChIKeyVHYNKUDKSBXPFZ-UHFFFAOYSA-N
MW238.17 g/mol
LogP-0.16
Rot. Bonds5

About N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 106396923) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID106396923
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ncon1
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-11-2-6(15)12-1-5-13-4-16-14-5/h4,11H,1-3H2,(H,12,15)
InChIKeyVHYNKUDKSBXPFZ-UHFFFAOYSA-N
XLogP-0.16
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 106396923) is N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VHYNKUDKSBXPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)3-11-2-6(15)12-1-5-13-4-16-14-5/h4,11H,1-3H2,(H,12,15).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 238.17 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 106396923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).