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

C11H17F3N2O2 — CID 62444261

IUPAC2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C11H17F3N2O2/c1-8(2)4-15-5-9-3-10(18-16-9)6-17-7-11(12,13)14/h3,8,15H,4-7H2,1-2H3
InChIKeyCIHLALLCVYWSHH-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.50
Rot. Bonds7

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

2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62444261) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62444261
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-1-amine
SMILESCC(C)CNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C11H17F3N2O2/c1-8(2)4-15-5-9-3-10(18-16-9)6-17-7-11(12,13)14/h3,8,15H,4-7H2,1-2H3
InChIKeyCIHLALLCVYWSHH-UHFFFAOYSA-N
XLogP2.50
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

{5-[(Tert-butoxy)methyl]-1,2-oxazol-3-yl}methanamine
CID 62457747
[5-(Methoxymethyl)-1,2-oxazol-3-yl]methanamine hydrochloride
CID 138040690
1-cyclopropyl-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-5-methylpyrrolidin-3-amine
CID 128701107
N-[(1S)-1-cyclopropylethyl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 137993470
5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole
CID 164642839
N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90325944
5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 129214844
5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 134390272
3-[(3,3-Difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole
CID 166884990
5-(cyclooct-2-en-7-yn-1-ylmethoxymethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 173978501
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55073205
N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 55077556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62444261) is 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is CC(C)CNCc1cc(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-1-amine?
The InChIKey is CIHLALLCVYWSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-8(2)4-15-5-9-3-10(18-16-9)6-17-7-11(12,13)14/h3,8,15H,4-7H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 266.26 g/mol, XLogP of 2.50, 7 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-1-amine is sourced from PubChem (CID 62444261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).