2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine

C12H11F3N2O — CID 79002679

IUPAC2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine
SMILESFC(F)(F)C(NCc1ccon1)c1ccccc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11(9-4-2-1-3-5-9)16-8-10-6-7-18-17-10/h1-7,11,16H,8H2
InChIKeySXJRNAXKXALUJF-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.07
Rot. Bonds4

About 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine

2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine (PubChem CID 79002679) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine
PubChem CID79002679
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine
SMILESFC(F)(F)C(NCc1ccon1)c1ccccc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11(9-4-2-1-3-5-9)16-8-10-6-7-18-17-10/h1-7,11,16H,8H2
InChIKeySXJRNAXKXALUJF-UHFFFAOYSA-N
XLogP3.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine (CID 79002679) is 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine is FC(F)(F)C(NCc1ccon1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine?
The InChIKey is SXJRNAXKXALUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)11(9-4-2-1-3-5-9)16-8-10-6-7-18-17-10/h1-7,11,16H,8H2.
What are the key properties of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine?
2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine has a molecular weight of 256.23 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine is sourced from PubChem (CID 79002679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).