N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine

C8H11F3N2O — CID 60972922

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1nc(CNCC(F)(F)F)oc1C
InChIInChI=1S/C8H11F3N2O/c1-5-6(2)14-7(13-5)3-12-4-8(9,10)11/h12H,3-4H2,1-2H3
InChIKeyCFPUNQYSYNVHLI-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.94
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 60972922) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID60972922
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1nc(CNCC(F)(F)F)oc1C
InChIInChI=1S/C8H11F3N2O/c1-5-6(2)14-7(13-5)3-12-4-8(9,10)11/h12H,3-4H2,1-2H3
InChIKeyCFPUNQYSYNVHLI-UHFFFAOYSA-N
XLogP1.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine 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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 60972922) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine is Cc1nc(CNCC(F)(F)F)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is CFPUNQYSYNVHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-5-6(2)14-7(13-5)3-12-4-8(9,10)11/h12H,3-4H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 208.18 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 60972922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).