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

C27H25F5N4O5 — CID 171902576

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

3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one (PubChem CID 171902576) has the molecular formula C27H25F5N4O5 and a molecular weight of 580.51 g/mol. Its IUPAC name is 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

• Compound Name: 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
• PubChem CID: 171902576
• Molecular Formula: C27H25F5N4O5
• Molecular Weight: 580.51 g/mol
• Exact Mass: 580.17
• IUPAC Name: 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
• SMILES: O=C1NC(c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)C(F)(F)C3)cc2)NO1
• InChI: InChI=1S/C27H25F5N4O5/c28-26(29)14-36(17-9-7-16(8-10-17)24-33-25(37)41-35-24)12-11-21(26)38-13-19-22(34-40-23(19)15-5-6-15)18-3-1-2-4-20(18)39-27(30,31)32/h1-4,7-10,15,21,24,35H,5-6,11-14H2,(H,33,37)
• InChIKey: XPNXFZIWOGVHEQ-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 98.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.51
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?

The IUPAC name of 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one (CID 171902576) is 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one.

What is the SMILES notation for 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?

The canonical SMILES for 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one is O=C1NC(c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)C(F)(F)C3)cc2)NO1.

What is the InChIKey of 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?

The InChIKey is XPNXFZIWOGVHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F5N4O5/c28-26(29)14-36(17-9-7-16(8-10-17)24-33-25(37)41-35-24)12-11-21(26)38-13-19-22(34-40-23(19)15-5-6-15)18-3-1-2-4-20(18)39-27(30,31)32/h1-4,7-10,15,21,24,35H,5-6,11-14H2,(H,33,37).

What are the key properties of 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?

3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 580.51 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 171902576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).