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

C7H8F3N3O2 — CID 79811781

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide
SMILESCC(N)(C(=O)Nc1cnoc1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c1-6(11,7(8,9)10)5(14)13-4-2-12-15-3-4/h2-3H,11H2,1H3,(H,13,14)
InChIKeyOMGORCGEHLYWSX-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.89
Rot. Bonds2

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

2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide (PubChem CID 79811781) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide
PubChem CID79811781
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide
SMILESCC(N)(C(=O)Nc1cnoc1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c1-6(11,7(8,9)10)5(14)13-4-2-12-15-3-4/h2-3H,11H2,1H3,(H,13,14)
InChIKeyOMGORCGEHLYWSX-UHFFFAOYSA-N
XLogP0.89
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide (CID 79811781) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide is CC(N)(C(=O)Nc1cnoc1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide?
The InChIKey is OMGORCGEHLYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-6(11,7(8,9)10)5(14)13-4-2-12-15-3-4/h2-3H,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide has a molecular weight of 223.15 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 79811781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).