3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one

C27H22F3N3O3 — CID 67446410

IUPAC3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
SMILESO=C1N(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22F3N3O3/c28-27(29,30)35-22-14-12-19(13-15-22)24-31-23(36-32-24)18-33-17-7-16-26(25(33)34,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15H,7,16-18H2
InChIKeyUXMPXKVXAHZANQ-UHFFFAOYSA-N
MW493.49 g/mol
LogP5.74
Rot. Bonds6

About 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one

3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one (PubChem CID 67446410) has the molecular formula C27H22F3N3O3 and a molecular weight of 493.49 g/mol. Its IUPAC name is 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
PubChem CID67446410
Molecular FormulaC27H22F3N3O3
Molecular Weight493.49 g/mol
Exact Mass493.16
IUPAC Name3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
SMILESO=C1N(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22F3N3O3/c28-27(29,30)35-22-14-12-19(13-15-22)24-31-23(36-32-24)18-33-17-7-16-26(25(33)34,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15H,7,16-18H2
InChIKeyUXMPXKVXAHZANQ-UHFFFAOYSA-N
XLogP5.74
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one 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 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
The IUPAC name of 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one (CID 67446410) is 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one.
What is the SMILES notation for 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
The canonical SMILES for 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one is O=C1N(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)CCCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
The InChIKey is UXMPXKVXAHZANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O3/c28-27(29,30)35-22-14-12-19(13-15-22)24-31-23(36-32-24)18-33-17-7-16-26(25(33)34,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15H,7,16-18H2.
What are the key properties of 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one has a molecular weight of 493.49 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one is sourced from PubChem (CID 67446410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).