2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C10H14F3N3O2 — CID 79954582

IUPAC2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESFC(F)(F)CCc1noc(CC2CNCCO2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)2-1-8-15-9(18-16-8)5-7-6-14-3-4-17-7/h7,14H,1-6H2
InChIKeyWKQPJGOKZIPLPR-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.10
Rot. Bonds4

About 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 79954582) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID79954582
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESFC(F)(F)CCc1noc(CC2CNCCO2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)2-1-8-15-9(18-16-8)5-7-6-14-3-4-17-7/h7,14H,1-6H2
InChIKeyWKQPJGOKZIPLPR-UHFFFAOYSA-N
XLogP1.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine 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 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 79954582) is 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is FC(F)(F)CCc1noc(CC2CNCCO2)n1.
What is the InChIKey of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is WKQPJGOKZIPLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)2-1-8-15-9(18-16-8)5-7-6-14-3-4-17-7/h7,14H,1-6H2.
What are the key properties of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 265.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 79954582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).