3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide

C6H7F2N3O2 — CID 130600857

IUPAC3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide
SMILESNCC(F)(F)C(=O)Nc1cnoc1
InChIInChI=1S/C6H7F2N3O2/c7-6(8,3-9)5(12)11-4-1-10-13-2-4/h1-2H,3,9H2,(H,11,12)
InChIKeyLTWNMZJVFPCFGG-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.21
Rot. Bonds3

About 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide

3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide (PubChem CID 130600857) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide
PubChem CID130600857
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide
SMILESNCC(F)(F)C(=O)Nc1cnoc1
InChIInChI=1S/C6H7F2N3O2/c7-6(8,3-9)5(12)11-4-1-10-13-2-4/h1-2H,3,9H2,(H,11,12)
InChIKeyLTWNMZJVFPCFGG-UHFFFAOYSA-N
XLogP0.21
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide?
The IUPAC name of 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide (CID 130600857) is 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide?
The canonical SMILES for 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide is NCC(F)(F)C(=O)Nc1cnoc1.
What is the InChIKey of 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide?
The InChIKey is LTWNMZJVFPCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c7-6(8,3-9)5(12)11-4-1-10-13-2-4/h1-2H,3,9H2,(H,11,12).
What are the key properties of 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide?
3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide has a molecular weight of 191.14 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 130600857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).