N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C9H13F3N2O2 — CID 106371739

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1cnc(CNCCOCC(F)(F)F)o1
InChIInChI=1S/C9H13F3N2O2/c1-7-4-14-8(16-7)5-13-2-3-15-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3
InChIKeyRWFGIBXXNFYOCH-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.65
Rot. Bonds6

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 106371739) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID106371739
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1cnc(CNCCOCC(F)(F)F)o1
InChIInChI=1S/C9H13F3N2O2/c1-7-4-14-8(16-7)5-13-2-3-15-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3
InChIKeyRWFGIBXXNFYOCH-UHFFFAOYSA-N
XLogP1.65
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 106371739) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1cnc(CNCCOCC(F)(F)F)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is RWFGIBXXNFYOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-7-4-14-8(16-7)5-13-2-3-15-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 238.21 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 106371739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).