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

C8H10F2N4O2 — CID 103514312

IUPAC2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)C(F)F
InChIInChI=1S/C8H10F2N4O2/c9-5(10)6(15)12-8-14-13-7(16-8)4-2-1-3-11-4/h4-5,11H,1-3H2,(H,12,14,15)
InChIKeyIKGXTHLAPKWWOV-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.70
Rot. Bonds3

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

2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 103514312) has the molecular formula C8H10F2N4O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID103514312
Molecular FormulaC8H10F2N4O2
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC Name2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)C(F)F
InChIInChI=1S/C8H10F2N4O2/c9-5(10)6(15)12-8-14-13-7(16-8)4-2-1-3-11-4/h4-5,11H,1-3H2,(H,12,14,15)
InChIKeyIKGXTHLAPKWWOV-UHFFFAOYSA-N
XLogP0.70
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 103514312) is 2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(Nc1nnc(C2CCCN2)o1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is IKGXTHLAPKWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O2/c9-5(10)6(15)12-8-14-13-7(16-8)4-2-1-3-11-4/h4-5,11H,1-3H2,(H,12,14,15).
What are the key properties of 2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 232.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 103514312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).