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

C10H15F3N2O2 — CID 106370860

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCc1cnc(CNCCOCC(F)(F)F)o1
InChIInChI=1S/C10H15F3N2O2/c1-2-8-5-15-9(17-8)6-14-3-4-16-7-10(11,12)13/h5,14H,2-4,6-7H2,1H3
InChIKeyZNZMQXJHRBDRQV-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.91
Rot. Bonds7

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 106370860) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID106370860
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCc1cnc(CNCCOCC(F)(F)F)o1
InChIInChI=1S/C10H15F3N2O2/c1-2-8-5-15-9(17-8)6-14-3-4-16-7-10(11,12)13/h5,14H,2-4,6-7H2,1H3
InChIKeyZNZMQXJHRBDRQV-UHFFFAOYSA-N
XLogP1.91
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

5-Ethyl-2-methyloxazole
CID 528407
N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
2,5-Diethyloxazole
CID 3016237
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632
2-(2-Methyl-1,3-oxazol-5-yl)ethan-1-amine dihydrochloride
CID 137964433
2,2,2-Trifluoro-1-(5-methyloxazol-2-yl)ethan-1-aminium chloride
CID 168474941
1-(5-Ethyloxazol-2-yl)-2,2,2-trifluoroethan-1-one
CID 168474942
t-Butyl [2,2,2-trifluoro-1-(5-methyloxazol-2-yl)ethyl]-carbamate
CID 168475044

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 106370860) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CCc1cnc(CNCCOCC(F)(F)F)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ZNZMQXJHRBDRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-2-8-5-15-9(17-8)6-14-3-4-16-7-10(11,12)13/h5,14H,2-4,6-7H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 252.24 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 106370860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).