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

C15H16F3N3O2 — CID 71981584

IUPAC4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESCc1nnc(CN2CCOC(c3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C15H16F3N3O2/c1-10-19-20-14(23-10)9-21-5-6-22-13(8-21)11-3-2-4-12(7-11)15(16,17)18/h2-4,7,13H,5-6,8-9H2,1H3
InChIKeyFRMULYOODABCRK-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.97
Rot. Bonds3

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

4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine (PubChem CID 71981584) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine
PubChem CID71981584
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESCc1nnc(CN2CCOC(c3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C15H16F3N3O2/c1-10-19-20-14(23-10)9-21-5-6-22-13(8-21)11-3-2-4-12(7-11)15(16,17)18/h2-4,7,13H,5-6,8-9H2,1H3
InChIKeyFRMULYOODABCRK-UHFFFAOYSA-N
XLogP2.97
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]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 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine (CID 71981584) is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine is Cc1nnc(CN2CCOC(c3cccc(C(F)(F)F)c3)C2)o1.
What is the InChIKey of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine?
The InChIKey is FRMULYOODABCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10-19-20-14(23-10)9-21-5-6-22-13(8-21)11-3-2-4-12(7-11)15(16,17)18/h2-4,7,13H,5-6,8-9H2,1H3.
What are the key properties of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine?
4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine has a molecular weight of 327.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 71981584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).