2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

C11H17F3N2O2 — CID 62444260

IUPAC2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C11H17F3N2O2/c1-10(2,3)15-5-8-4-9(18-16-8)6-17-7-11(12,13)14/h4,15H,5-7H2,1-3H3
InChIKeyZIYKJBMEAKBBGV-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.64
Rot. Bonds5

About 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62444260) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62444260
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C11H17F3N2O2/c1-10(2,3)15-5-8-4-9(18-16-8)6-17-7-11(12,13)14/h4,15H,5-7H2,1-3H3
InChIKeyZIYKJBMEAKBBGV-UHFFFAOYSA-N
XLogP2.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62444260) is 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)(C)NCc1cc(COCC(F)(F)F)on1.
What is the InChIKey of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is ZIYKJBMEAKBBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-10(2,3)15-5-8-4-9(18-16-8)6-17-7-11(12,13)14/h4,15H,5-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 266.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62444260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).