2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide

C9H12F3N3O2 — CID 106371281

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)(N)C(F)(F)F)o1
InChIInChI=1S/C9H12F3N3O2/c1-5-3-14-6(17-5)4-15-7(16)8(2,13)9(10,11)12/h3H,4,13H2,1-2H3,(H,15,16)
InChIKeyZQDBMKXWAGOPMW-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.88
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (PubChem CID 106371281) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
PubChem CID106371281
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)(N)C(F)(F)F)o1
InChIInChI=1S/C9H12F3N3O2/c1-5-3-14-6(17-5)4-15-7(16)8(2,13)9(10,11)12/h3H,4,13H2,1-2H3,(H,15,16)
InChIKeyZQDBMKXWAGOPMW-UHFFFAOYSA-N
XLogP0.88
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.88
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-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (CID 106371281) is 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)C(C)(N)C(F)(F)F)o1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The InChIKey is ZQDBMKXWAGOPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-5-3-14-6(17-5)4-15-7(16)8(2,13)9(10,11)12/h3H,4,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide has a molecular weight of 251.21 g/mol, XLogP of 0.88, 3 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-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is sourced from PubChem (CID 106371281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).