3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one

C26H24F5N5O5 — CID 171902583

About 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one

3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one (PubChem CID 171902583) has the molecular formula C26H24F5N5O5 and a molecular weight of 581.50 g/mol. Its IUPAC name is 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

• Compound Name: 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
• PubChem CID: 171902583
• Molecular Formula: C26H24F5N5O5
• Molecular Weight: 581.50 g/mol
• Exact Mass: 581.17
• IUPAC Name: 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
• SMILES: O=C1NC(c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)C(F)(F)C3)nc2)NO1
• InChI: InChI=1S/C26H24F5N5O5/c27-25(28)13-36(20-8-7-15(11-32-20)23-33-24(37)41-35-23)10-9-19(25)38-12-17-21(34-40-22(17)14-5-6-14)16-3-1-2-4-18(16)39-26(29,30)31/h1-4,7-8,11,14,19,23,35H,5-6,9-10,12-13H2,(H,33,37)
• InChIKey: KEXUYIGJSIKEQX-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 110.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.50
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?

The IUPAC name of 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one (CID 171902583) is 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one.

What is the SMILES notation for 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?

The canonical SMILES for 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one is O=C1NC(c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)C(F)(F)C3)nc2)NO1.

What is the InChIKey of 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?

The InChIKey is KEXUYIGJSIKEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F5N5O5/c27-25(28)13-36(20-8-7-15(11-32-20)23-33-24(37)41-35-23)10-9-19(25)38-12-17-21(34-40-22(17)14-5-6-14)16-3-1-2-4-18(16)39-26(29,30)31/h1-4,7-8,11,14,19,23,35H,5-6,9-10,12-13H2,(H,33,37).

What are the key properties of 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?

3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 581.50 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 171902583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).