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

C10H15F3N2O2 — CID 55073205

IUPACN-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C10H15F3N2O2/c1-7(2)14-4-8-3-9(17-15-8)5-16-6-10(11,12)13/h3,7,14H,4-6H2,1-2H3
InChIKeyFVOOFNXFEYIBTE-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.25
Rot. Bonds6

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

N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 55073205) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID55073205
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC NameN-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C10H15F3N2O2/c1-7(2)14-4-8-3-9(17-15-8)5-16-6-10(11,12)13/h3,7,14H,4-6H2,1-2H3
InChIKeyFVOOFNXFEYIBTE-UHFFFAOYSA-N
XLogP2.25
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 55073205) is N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(COCC(F)(F)F)on1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is FVOOFNXFEYIBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-7(2)14-4-8-3-9(17-15-8)5-16-6-10(11,12)13/h3,7,14H,4-6H2,1-2H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 252.24 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).