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

C5H5F2N3O2 — CID 106409901

IUPAC2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESO=C(NCc1ncon1)C(F)F
InChIInChI=1S/C5H5F2N3O2/c6-4(7)5(11)8-1-3-9-2-12-10-3/h2,4H,1H2,(H,8,11)
InChIKeyAOSCUDLVKXYARH-UHFFFAOYSA-N
MW177.11 g/mol
LogP-0.05
Rot. Bonds3

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

2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (PubChem CID 106409901) has the molecular formula C5H5F2N3O2 and a molecular weight of 177.11 g/mol. Its IUPAC name is 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
PubChem CID106409901
Molecular FormulaC5H5F2N3O2
Molecular Weight177.11 g/mol
Exact Mass177.03
IUPAC Name2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESO=C(NCc1ncon1)C(F)F
InChIInChI=1S/C5H5F2N3O2/c6-4(7)5(11)8-1-3-9-2-12-10-3/h2,4H,1H2,(H,8,11)
InChIKeyAOSCUDLVKXYARH-UHFFFAOYSA-N
XLogP-0.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (CID 106409901) is 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide is O=C(NCc1ncon1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The InChIKey is AOSCUDLVKXYARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O2/c6-4(7)5(11)8-1-3-9-2-12-10-3/h2,4H,1H2,(H,8,11).
What are the key properties of 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide has a molecular weight of 177.11 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide is sourced from PubChem (CID 106409901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).