2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C7H10FN3O2 — CID 130562161

IUPAC2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCc1ncon1
InChIInChI=1S/C7H10FN3O2/c1-7(2,8)6(12)9-3-5-10-4-13-11-5/h4H,3H2,1-2H3,(H,9,12)
InChIKeyPIYGGTIOPIGVSZ-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.43
Rot. Bonds3

About 2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 130562161) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID130562161
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCc1ncon1
InChIInChI=1S/C7H10FN3O2/c1-7(2,8)6(12)9-3-5-10-4-13-11-5/h4H,3H2,1-2H3,(H,9,12)
InChIKeyPIYGGTIOPIGVSZ-UHFFFAOYSA-N
XLogP0.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 103733850
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106396839
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106396923
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106397609
2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106398666
3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
CID 106398697
4,4,4-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine
CID 106398893
3,3,3-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
CID 106399113
2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106399240
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106400503
2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106409869
2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106409871

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 130562161) is 2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(C)(F)C(=O)NCc1ncon1.
What is the InChIKey of 2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is PIYGGTIOPIGVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-7(2,8)6(12)9-3-5-10-4-13-11-5/h4H,3H2,1-2H3,(H,9,12).
What are the key properties of 2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 187.17 g/mol, XLogP of 0.43, 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-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 130562161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).