5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one

C28H26F3N3O5 — CID 164566686

IUPAC5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc2)o[nH]1
InChIInChI=1S/C28H26F3N3O5/c29-28(30,31)37-23-4-2-1-3-21(23)26-22(27(39-33-26)18-5-6-18)16-36-20-11-13-34(14-12-20)19-9-7-17(8-10-19)24-15-25(35)32-38-24/h1-4,7-10,15,18,20H,5-6,11-14,16H2,(H,32,35)
InChIKeyXZLIABHJTOJOSF-UHFFFAOYSA-N
MW541.53 g/mol
LogP6.25
Rot. Bonds8

About 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one

5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one (PubChem CID 164566686) has the molecular formula C28H26F3N3O5 and a molecular weight of 541.53 g/mol. Its IUPAC name is 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one
PubChem CID164566686
Molecular FormulaC28H26F3N3O5
Molecular Weight541.53 g/mol
Exact Mass541.18
IUPAC Name5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc2)o[nH]1
InChIInChI=1S/C28H26F3N3O5/c29-28(30,31)37-23-4-2-1-3-21(23)26-22(27(39-33-26)18-5-6-18)16-36-20-11-13-34(14-12-20)19-9-7-17(8-10-19)24-15-25(35)32-38-24/h1-4,7-10,15,18,20H,5-6,11-14,16H2,(H,32,35)
InChIKeyXZLIABHJTOJOSF-UHFFFAOYSA-N
XLogP6.25
TPSA93.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.53
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-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 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one (CID 164566686) is 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one is O=c1cc(-c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc2)o[nH]1.
What is the InChIKey of 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one?
The InChIKey is XZLIABHJTOJOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O5/c29-28(30,31)37-23-4-2-1-3-21(23)26-22(27(39-33-26)18-5-6-18)16-36-20-11-13-34(14-12-20)19-9-7-17(8-10-19)24-15-25(35)32-38-24/h1-4,7-10,15,18,20H,5-6,11-14,16H2,(H,32,35).
What are the key properties of 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one?
5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one has a molecular weight of 541.53 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2-oxazol-3-one is sourced from PubChem (CID 164566686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).