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

C25H23F4N5O4 — CID 171902582

IUPAC3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(N3CCC(OCc4c(-c5c(F)cccc5F)noc4C4CC4)C(F)(F)C3)nc2)NO1
InChIInChI=1S/C25H23F4N5O4/c26-16-2-1-3-17(27)20(16)21-15(22(37-32-21)13-4-5-13)11-36-18-8-9-34(12-25(18,28)29)19-7-6-14(10-30-19)23-31-24(35)38-33-23/h1-3,6-7,10,13,18,23,33H,4-5,8-9,11-12H2,(H,31,35)
InChIKeyHVBUTROOZCQOEB-UHFFFAOYSA-N
MW533.48 g/mol
LogP4.57
Rot. Bonds7

About 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one (PubChem CID 171902582) has the molecular formula C25H23F4N5O4 and a molecular weight of 533.48 g/mol. Its IUPAC name is 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
PubChem CID171902582
Molecular FormulaC25H23F4N5O4
Molecular Weight533.48 g/mol
Exact Mass533.17
IUPAC Name3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(N3CCC(OCc4c(-c5c(F)cccc5F)noc4C4CC4)C(F)(F)C3)nc2)NO1
InChIInChI=1S/C25H23F4N5O4/c26-16-2-1-3-17(27)20(16)21-15(22(37-32-21)13-4-5-13)11-36-18-8-9-34(12-25(18,28)29)19-7-6-14(10-30-19)23-31-24(35)38-33-23/h1-3,6-7,10,13,18,23,33H,4-5,8-9,11-12H2,(H,31,35)
InChIKeyHVBUTROOZCQOEB-UHFFFAOYSA-N
XLogP4.57
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one (CID 171902582) is 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-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(-c5c(F)cccc5F)noc4C4CC4)C(F)(F)C3)nc2)NO1.
What is the InChIKey of 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is HVBUTROOZCQOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N5O4/c26-16-2-1-3-17(27)20(16)21-15(22(37-32-21)13-4-5-13)11-36-18-8-9-34(12-25(18,28)29)19-7-6-14(10-30-19)23-31-24(35)38-33-23/h1-3,6-7,10,13,18,23,33H,4-5,8-9,11-12H2,(H,31,35).
What are the key properties of 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 533.48 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-difluoropiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 171902582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).