3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide

C20H24F3N3O4 — CID 139009041

IUPAC3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide
SMILESCC(C)c1nnc(CCC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)o1
InChIInChI=1S/C20H24F3N3O4/c1-13(2)18-26-25-17(29-18)7-6-16(27)24-19(8-10-28-11-9-19)14-4-3-5-15(12-14)30-20(21,22)23/h3-5,12-13H,6-11H2,1-2H3,(H,24,27)
InChIKeyRXVJOMPVSSQBMW-UHFFFAOYSA-N
MW427.42 g/mol
LogP3.85
Rot. Bonds7

About 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide (PubChem CID 139009041) has the molecular formula C20H24F3N3O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide
PubChem CID139009041
Molecular FormulaC20H24F3N3O4
Molecular Weight427.42 g/mol
Exact Mass427.17
IUPAC Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide
SMILESCC(C)c1nnc(CCC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)o1
InChIInChI=1S/C20H24F3N3O4/c1-13(2)18-26-25-17(29-18)7-6-16(27)24-19(8-10-28-11-9-19)14-4-3-5-15(12-14)30-20(21,22)23/h3-5,12-13H,6-11H2,1-2H3,(H,24,27)
InChIKeyRXVJOMPVSSQBMW-UHFFFAOYSA-N
XLogP3.85
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide 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 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide?
The IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide (CID 139009041) is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide.
What is the SMILES notation for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide?
The canonical SMILES for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide is CC(C)c1nnc(CCC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)o1.
What is the InChIKey of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide?
The InChIKey is RXVJOMPVSSQBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O4/c1-13(2)18-26-25-17(29-18)7-6-16(27)24-19(8-10-28-11-9-19)14-4-3-5-15(12-14)30-20(21,22)23/h3-5,12-13H,6-11H2,1-2H3,(H,24,27).
What are the key properties of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide?
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide has a molecular weight of 427.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide is sourced from PubChem (CID 139009041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).