2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide

C8H12FN3O2 — CID 130978952

IUPAC2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)F)c1ncon1
InChIInChI=1S/C8H12FN3O2/c1-5(6-10-4-14-12-6)11-7(13)8(2,3)9/h4-5H,1-3H3,(H,11,13)
InChIKeySDRAZMHJDFNZJA-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.99
Rot. Bonds3

About 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide

2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 130978952) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID130978952
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)F)c1ncon1
InChIInChI=1S/C8H12FN3O2/c1-5(6-10-4-14-12-6)11-7(13)8(2,3)9/h4-5H,1-3H3,(H,11,13)
InChIKeySDRAZMHJDFNZJA-UHFFFAOYSA-N
XLogP0.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 130978952) is 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is CC(NC(=O)C(C)(C)F)c1ncon1.
What is the InChIKey of 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is SDRAZMHJDFNZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-5(6-10-4-14-12-6)11-7(13)8(2,3)9/h4-5H,1-3H3,(H,11,13).
What are the key properties of 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 201.20 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 130978952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).