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

C8H11F3N2O2 — CID 66276397

IUPAC[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCC(OCc1cc(CN)no1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-5(8(9,10)11)14-4-7-2-6(3-12)13-15-7/h2,5H,3-4,12H2,1H3
InChIKeyIWRASOKRBAIBHI-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.60
Rot. Bonds4

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

[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 66276397) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID66276397
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCC(OCc1cc(CN)no1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-5(8(9,10)11)14-4-7-2-6(3-12)13-15-7/h2,5H,3-4,12H2,1H3
InChIKeyIWRASOKRBAIBHI-UHFFFAOYSA-N
XLogP1.60
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze [5-(1,1,1-trifluoropropan-2-yloxymethyl)-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-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine (CID 66276397) is [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine is CC(OCc1cc(CN)no1)C(F)(F)F.
What is the InChIKey of [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is IWRASOKRBAIBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-5(8(9,10)11)14-4-7-2-6(3-12)13-15-7/h2,5H,3-4,12H2,1H3.
What are the key properties of [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 224.18 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 66276397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).