N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C7H8F3N3O2 — CID 78957859

IUPACN-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cnoc1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-11-2-6(14)13-5-1-12-15-3-5/h1,3,11H,2,4H2,(H,13,14)
InChIKeyQZDUHHZFJQNLMW-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.76
Rot. Bonds4

About N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957859) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957859
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC NameN-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cnoc1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-11-2-6(14)13-5-1-12-15-3-5/h1,3,11H,2,4H2,(H,13,14)
InChIKeyQZDUHHZFJQNLMW-UHFFFAOYSA-N
XLogP0.76
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957859) is N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cnoc1.
What is the InChIKey of N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QZDUHHZFJQNLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)4-11-2-6(14)13-5-1-12-15-3-5/h1,3,11H,2,4H2,(H,13,14).
What are the key properties of N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 223.15 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).