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

C8H11F3N2O2 — CID 106372351

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
SMILESCc1cnc(CNCCOC(F)(F)F)o1
InChIInChI=1S/C8H11F3N2O2/c1-6-4-13-7(15-6)5-12-2-3-14-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyXYFNUYGKXZSOSW-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.61
Rot. Bonds5

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine (PubChem CID 106372351) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
PubChem CID106372351
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
SMILESCc1cnc(CNCCOC(F)(F)F)o1
InChIInChI=1S/C8H11F3N2O2/c1-6-4-13-7(15-6)5-12-2-3-14-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyXYFNUYGKXZSOSW-UHFFFAOYSA-N
XLogP1.61
TPSA47.29 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 ≤ 51.61
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 N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine (CID 106372351) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine is Cc1cnc(CNCCOC(F)(F)F)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine?
The InChIKey is XYFNUYGKXZSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-6-4-13-7(15-6)5-12-2-3-14-8(9,10)11/h4,12H,2-3,5H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine has a molecular weight of 224.18 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 106372351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).