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

C8H11F3N2O2 — CID 82957487

IUPAC[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCCC(F)(F)F)on1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)1-2-14-5-7-3-6(4-12)13-15-7/h3H,1-2,4-5,12H2
InChIKeyWNJHEZPRRNRWLP-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.60
Rot. Bonds5

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

[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 82957487) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is [5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID82957487
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCCC(F)(F)F)on1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)1-2-14-5-7-3-6(4-12)13-15-7/h3H,1-2,4-5,12H2
InChIKeyWNJHEZPRRNRWLP-UHFFFAOYSA-N
XLogP1.60
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-(3,3,3-trifluoropropoxymethyl)-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-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine (CID 82957487) is [5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(COCCC(F)(F)F)on1.
What is the InChIKey of [5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is WNJHEZPRRNRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)1-2-14-5-7-3-6(4-12)13-15-7/h3H,1-2,4-5,12H2.
What are the key properties of [5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine?
[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 224.18 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 82957487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).