N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H12F3N3O2 — CID 103726112

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cnc(CNC(=O)CNCC(F)(F)F)o1
InChIInChI=1S/C9H12F3N3O2/c1-6-2-15-8(17-6)4-14-7(16)3-13-5-9(10,11)12/h2,13H,3-5H2,1H3,(H,14,16)
InChIKeyVZSSSWBVZFOZCT-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.75
Rot. Bonds5

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103726112) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103726112
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cnc(CNC(=O)CNCC(F)(F)F)o1
InChIInChI=1S/C9H12F3N3O2/c1-6-2-15-8(17-6)4-14-7(16)3-13-5-9(10,11)12/h2,13H,3-5H2,1H3,(H,14,16)
InChIKeyVZSSSWBVZFOZCT-UHFFFAOYSA-N
XLogP0.75
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 103726112) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1cnc(CNC(=O)CNCC(F)(F)F)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VZSSSWBVZFOZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-6-2-15-8(17-6)4-14-7(16)3-13-5-9(10,11)12/h2,13H,3-5H2,1H3,(H,14,16).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 251.21 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103726112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).