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

C25H20F3N3O2 — CID 66670141

IUPAC5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)cn1-c1ccccc1F
InChIInChI=1S/C25H20F3N3O2/c26-17-6-7-18(20(28)13-17)24-23(30-25(33-24)15-9-11-29-12-10-15)16-5-8-22(32)31(14-16)21-4-2-1-3-19(21)27/h1-8,13-15,29H,9-12H2
InChIKeyHOIXIQPUFYPWER-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.04
Rot. Bonds4

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

5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one (PubChem CID 66670141) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one
PubChem CID66670141
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)cn1-c1ccccc1F
InChIInChI=1S/C25H20F3N3O2/c26-17-6-7-18(20(28)13-17)24-23(30-25(33-24)15-9-11-29-12-10-15)16-5-8-22(32)31(14-16)21-4-2-1-3-19(21)27/h1-8,13-15,29H,9-12H2
InChIKeyHOIXIQPUFYPWER-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 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one?
The IUPAC name of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one (CID 66670141) is 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one is O=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)cn1-c1ccccc1F.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one?
The InChIKey is HOIXIQPUFYPWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c26-17-6-7-18(20(28)13-17)24-23(30-25(33-24)15-9-11-29-12-10-15)16-5-8-22(32)31(14-16)21-4-2-1-3-19(21)27/h1-8,13-15,29H,9-12H2.
What are the key properties of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one?
5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)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 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 66670141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).