2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C8H9F3N4O2 — CID 102703182

IUPAC2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)C(F)(F)F
InChIInChI=1S/C8H9F3N4O2/c9-8(10,11)6(16)13-7-15-14-5(17-7)4-2-1-3-12-4/h4,12H,1-3H2,(H,13,15,16)
InChIKeyQXHGERFHCWUVKS-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.99
Rot. Bonds2

About 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 102703182) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID102703182
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Name2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)C(F)(F)F
InChIInChI=1S/C8H9F3N4O2/c9-8(10,11)6(16)13-7-15-14-5(17-7)4-2-1-3-12-4/h4,12H,1-3H2,(H,13,15,16)
InChIKeyQXHGERFHCWUVKS-UHFFFAOYSA-N
XLogP0.99
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 102703182) is 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(Nc1nnc(C2CCCN2)o1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is QXHGERFHCWUVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2/c9-8(10,11)6(16)13-7-15-14-5(17-7)4-2-1-3-12-4/h4,12H,1-3H2,(H,13,15,16).
What are the key properties of 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 250.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 102703182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).