3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole

C25H20F6N4O2 — CID 166456468

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)no4)CC3)nc12
InChIInChI=1S/C25H20F6N4O2/c1-36-19-4-2-3-14-5-6-20(32-21(14)19)35-9-7-15(8-10-35)23-33-22(34-37-23)16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h2-6,11-13,15H,7-10H2,1H3
InChIKeyFZLKZDJYTUIKFK-UHFFFAOYSA-N
MW522.45 g/mol
LogP6.72
Rot. Bonds4

About 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole

3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 166456468) has the molecular formula C25H20F6N4O2 and a molecular weight of 522.45 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID166456468
Molecular FormulaC25H20F6N4O2
Molecular Weight522.45 g/mol
Exact Mass522.15
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)no4)CC3)nc12
InChIInChI=1S/C25H20F6N4O2/c1-36-19-4-2-3-14-5-6-20(32-21(14)19)35-9-7-15(8-10-35)23-33-22(34-37-23)16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h2-6,11-13,15H,7-10H2,1H3
InChIKeyFZLKZDJYTUIKFK-UHFFFAOYSA-N
XLogP6.72
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole 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-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 166456468) is 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole is COc1cccc2ccc(N3CCC(c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)no4)CC3)nc12.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is FZLKZDJYTUIKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N4O2/c1-36-19-4-2-3-14-5-6-20(32-21(14)19)35-9-7-15(8-10-35)23-33-22(34-37-23)16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h2-6,11-13,15H,7-10H2,1H3.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 522.45 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 166456468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).