N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine

C11H17F3N2O2 — CID 65184900

IUPACN-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOCCNCCCc1ncc(CC(F)(F)F)o1
InChIInChI=1S/C11H17F3N2O2/c1-17-6-5-15-4-2-3-10-16-8-9(18-10)7-11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyQTXCZOVAJRMDGX-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.95
Rot. Bonds8

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

N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65184900) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65184900
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOCCNCCCc1ncc(CC(F)(F)F)o1
InChIInChI=1S/C11H17F3N2O2/c1-17-6-5-15-4-2-3-10-16-8-9(18-10)7-11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyQTXCZOVAJRMDGX-UHFFFAOYSA-N
XLogP1.95
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.95
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-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65184900) is N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine is COCCNCCCc1ncc(CC(F)(F)F)o1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is QTXCZOVAJRMDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-17-6-5-15-4-2-3-10-16-8-9(18-10)7-11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine?
N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 266.26 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65184900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).