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

C8H11F3N2O2 — CID 62443878

IUPACN-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C8H11F3N2O2/c1-12-3-6-2-7(15-13-6)4-14-5-8(9,10)11/h2,12H,3-5H2,1H3
InChIKeyBVTFUJMMVONILR-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.47
Rot. Bonds5

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

N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 62443878) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID62443878
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C8H11F3N2O2/c1-12-3-6-2-7(15-13-6)4-14-5-8(9,10)11/h2,12H,3-5H2,1H3
InChIKeyBVTFUJMMVONILR-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine (CID 62443878) is N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine is CNCc1cc(COCC(F)(F)F)on1.
What is the InChIKey of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is BVTFUJMMVONILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-12-3-6-2-7(15-13-6)4-14-5-8(9,10)11/h2,12H,3-5H2,1H3.
What are the key properties of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 224.18 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62443878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).