2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide

C6H7F2N3O2 — CID 107168050

IUPAC2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESO=C(NCCc1ncon1)C(F)F
InChIInChI=1S/C6H7F2N3O2/c7-5(8)6(12)9-2-1-4-10-3-13-11-4/h3,5H,1-2H2,(H,9,12)
InChIKeyXSMLSPHHFDWWDY-UHFFFAOYSA-N
MW191.14 g/mol
LogP-0.01
Rot. Bonds4

About 2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide

2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 107168050) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID107168050
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESO=C(NCCc1ncon1)C(F)F
InChIInChI=1S/C6H7F2N3O2/c7-5(8)6(12)9-2-1-4-10-3-13-11-4/h3,5H,1-2H2,(H,9,12)
InChIKeyXSMLSPHHFDWWDY-UHFFFAOYSA-N
XLogP-0.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-0.01
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-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 107168050) is 2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide is O=C(NCCc1ncon1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is XSMLSPHHFDWWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c7-5(8)6(12)9-2-1-4-10-3-13-11-4/h3,5H,1-2H2,(H,9,12).
What are the key properties of 2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 191.14 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 107168050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).