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

C7H9F3N4O2 — CID 106399240

IUPAC2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1ncon1)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-12-6(15)2-11-1-5-13-4-16-14-5/h4,11H,1-3H2,(H,12,15)
InChIKeyZCDUCUQXVPYFJI-UHFFFAOYSA-N
MW238.17 g/mol
LogP-0.16
Rot. Bonds5

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

2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106399240) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106399240
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1ncon1)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-12-6(15)2-11-1-5-13-4-16-14-5/h4,11H,1-3H2,(H,12,15)
InChIKeyZCDUCUQXVPYFJI-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 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 106399240) is 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1ncon1)NCC(F)(F)F.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZCDUCUQXVPYFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)3-12-6(15)2-11-1-5-13-4-16-14-5/h4,11H,1-3H2,(H,12,15).
What are the key properties of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)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 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106399240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).