1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C11H18F3N3O3 — CID 103211851

IUPAC1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O3/c1-7(2)19-5-10(3,15)9-16-8(20-17-9)4-18-6-11(12,13)14/h7H,4-6,15H2,1-3H3
InChIKeyYKRGMOBRUGNOOQ-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.75
Rot. Bonds7

About 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 103211851) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID103211851
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O3/c1-7(2)19-5-10(3,15)9-16-8(20-17-9)4-18-6-11(12,13)14/h7H,4-6,15H2,1-3H3
InChIKeyYKRGMOBRUGNOOQ-UHFFFAOYSA-N
XLogP1.75
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 103211851) is 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)OCC(C)(N)c1noc(COCC(F)(F)F)n1.
What is the InChIKey of 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is YKRGMOBRUGNOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-7(2)19-5-10(3,15)9-16-8(20-17-9)4-18-6-11(12,13)14/h7H,4-6,15H2,1-3H3.
What are the key properties of 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 297.28 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 103211851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).