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

C12H19F3N2O3 — CID 103213216

IUPACN-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine
SMILESCOCCNCCc1ncc(CCOCC(F)(F)F)o1
InChIInChI=1S/C12H19F3N2O3/c1-18-7-5-16-4-2-11-17-8-10(20-11)3-6-19-9-12(13,14)15/h8,16H,2-7,9H2,1H3
InChIKeyJWJYMJMXDASYPD-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.57
Rot. Bonds10

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

N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine (PubChem CID 103213216) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine
PubChem CID103213216
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC NameN-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine
SMILESCOCCNCCc1ncc(CCOCC(F)(F)F)o1
InChIInChI=1S/C12H19F3N2O3/c1-18-7-5-16-4-2-11-17-8-10(20-11)3-6-19-9-12(13,14)15/h8,16H,2-7,9H2,1H3
InChIKeyJWJYMJMXDASYPD-UHFFFAOYSA-N
XLogP1.57
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 65182423
2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213242
2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213128
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973
N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182761
N-[2-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182920
2-(1-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213132
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N-(2-methoxyethyl)-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-2-yl]ethanamine
CID 66478578
2-methyl-N-[3-[5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213243
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690356
2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 113382250

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine (CID 103213216) is N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine is COCCNCCc1ncc(CCOCC(F)(F)F)o1.
What is the InChIKey of N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine?
The InChIKey is JWJYMJMXDASYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-18-7-5-16-4-2-11-17-8-10(20-11)3-6-19-9-12(13,14)15/h8,16H,2-7,9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine?
N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 103213216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).