2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine

C9H13F3N2O2 — CID 65181973

IUPAC2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(CC(F)(F)F)o1
InChIInChI=1S/C9H13F3N2O2/c1-15-3-2-13-6-8-14-5-7(16-8)4-9(10,11)12/h5,13H,2-4,6H2,1H3
InChIKeyHGKUTXMNDJYIAJ-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.52
Rot. Bonds6

About 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine

2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65181973) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65181973
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(CC(F)(F)F)o1
InChIInChI=1S/C9H13F3N2O2/c1-15-3-2-13-6-8-14-5-7(16-8)4-9(10,11)12/h5,13H,2-4,6H2,1H3
InChIKeyHGKUTXMNDJYIAJ-UHFFFAOYSA-N
XLogP1.52
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65181973) is 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine is COCCNCc1ncc(CC(F)(F)F)o1.
What is the InChIKey of 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is HGKUTXMNDJYIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-15-3-2-13-6-8-14-5-7(16-8)4-9(10,11)12/h5,13H,2-4,6H2,1H3.
What are the key properties of 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 238.21 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65181973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).