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

C26H24F4N4O4 — CID 171902577

IUPAC3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(N3CCC(OCc4c(-c5c(F)cccc5F)noc4C4CC4)C(F)(F)C3)cc2)NO1
InChIInChI=1S/C26H24F4N4O4/c27-18-2-1-3-19(28)21(18)22-17(23(37-32-22)14-4-5-14)12-36-20-10-11-34(13-26(20,29)30)16-8-6-15(7-9-16)24-31-25(35)38-33-24/h1-3,6-9,14,20,24,33H,4-5,10-13H2,(H,31,35)
InChIKeyOLSLVMUDZDRVBJ-UHFFFAOYSA-N
MW532.49 g/mol
LogP5.17
Rot. Bonds7

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

3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one (PubChem CID 171902577) has the molecular formula C26H24F4N4O4 and a molecular weight of 532.49 g/mol. Its IUPAC name is 3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
PubChem CID171902577
Molecular FormulaC26H24F4N4O4
Molecular Weight532.49 g/mol
Exact Mass532.17
IUPAC Name3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(N3CCC(OCc4c(-c5c(F)cccc5F)noc4C4CC4)C(F)(F)C3)cc2)NO1
InChIInChI=1S/C26H24F4N4O4/c27-18-2-1-3-19(28)21(18)22-17(23(37-32-22)14-4-5-14)12-36-20-10-11-34(13-26(20,29)30)16-8-6-15(7-9-16)24-31-25(35)38-33-24/h1-3,6-9,14,20,24,33H,4-5,10-13H2,(H,31,35)
InChIKeyOLSLVMUDZDRVBJ-UHFFFAOYSA-N
XLogP5.17
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one (CID 171902577) is 3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one is O=C1NC(c2ccc(N3CCC(OCc4c(-c5c(F)cccc5F)noc4C4CC4)C(F)(F)C3)cc2)NO1.
What is the InChIKey of 3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is OLSLVMUDZDRVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O4/c27-18-2-1-3-19(28)21(18)22-17(23(37-32-22)14-4-5-14)12-36-20-10-11-34(13-26(20,29)30)16-8-6-15(7-9-16)24-31-25(35)38-33-24/h1-3,6-9,14,20,24,33H,4-5,10-13H2,(H,31,35).
What are the key properties of 3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?
3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 532.49 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 171902577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).