[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine

C7H9F3N2O2 — CID 62445404

IUPAC[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)4-13-3-6-1-5(2-11)12-14-6/h1H,2-4,11H2
InChIKeyBQRCGIBOAZJPCT-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.21
Rot. Bonds4

About [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine

[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 62445404) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID62445404
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)4-13-3-6-1-5(2-11)12-14-6/h1H,2-4,11H2
InChIKeyBQRCGIBOAZJPCT-UHFFFAOYSA-N
XLogP1.21
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine 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 [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine (CID 62445404) is [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(COCC(F)(F)F)on1.
What is the InChIKey of [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is BQRCGIBOAZJPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)4-13-3-6-1-5(2-11)12-14-6/h1H,2-4,11H2.
What are the key properties of [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 210.15 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62445404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).