1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one

C25H20F3N3O2 — CID 66670149

IUPAC1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2)cn1-c1c(F)cccc1F
InChIInChI=1S/C25H20F3N3O2/c26-18-7-4-15(5-8-18)24-22(30-25(33-24)16-10-12-29-13-11-16)17-6-9-21(32)31(14-17)23-19(27)2-1-3-20(23)28/h1-9,14,16,29H,10-13H2
InChIKeyNJUOXRYETYVLJI-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.04
Rot. Bonds4

About 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one

1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 66670149) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID66670149
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2)cn1-c1c(F)cccc1F
InChIInChI=1S/C25H20F3N3O2/c26-18-7-4-15(5-8-18)24-22(30-25(33-24)16-10-12-29-13-11-16)17-6-9-21(32)31(14-17)23-19(27)2-1-3-20(23)28/h1-9,14,16,29H,10-13H2
InChIKeyNJUOXRYETYVLJI-UHFFFAOYSA-N
XLogP5.04
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one (CID 66670149) is 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one is O=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2)cn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one?
The InChIKey is NJUOXRYETYVLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c26-18-7-4-15(5-8-18)24-22(30-25(33-24)16-10-12-29-13-11-16)17-6-9-21(32)31(14-17)23-19(27)2-1-3-20(23)28/h1-9,14,16,29H,10-13H2.
What are the key properties of 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 451.45 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 66670149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).