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

C26H22F3N3O2 — CID 66670210

IUPAC5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one
SMILESCc1cccc(F)c1-n1cc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C26H22F3N3O2/c1-15-3-2-4-20(28)24(15)32-14-17(5-8-22(32)33)23-25(19-7-6-18(27)13-21(19)29)34-26(31-23)16-9-11-30-12-10-16/h2-8,13-14,16,30H,9-12H2,1H3
InChIKeyGWZDYHWPVDWOBF-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.35
Rot. Bonds4

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

5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one (PubChem CID 66670210) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one
PubChem CID66670210
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one
SMILESCc1cccc(F)c1-n1cc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C26H22F3N3O2/c1-15-3-2-4-20(28)24(15)32-14-17(5-8-22(32)33)23-25(19-7-6-18(27)13-21(19)29)34-26(31-23)16-9-11-30-12-10-16/h2-8,13-14,16,30H,9-12H2,1H3
InChIKeyGWZDYHWPVDWOBF-UHFFFAOYSA-N
XLogP5.35
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.35
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-fluoro-6-methylphenyl)pyridin-2-one?
The IUPAC name of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one (CID 66670210) is 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)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-fluoro-6-methylphenyl)pyridin-2-one?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one is Cc1cccc(F)c1-n1cc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one?
The InChIKey is GWZDYHWPVDWOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-15-3-2-4-20(28)24(15)32-14-17(5-8-22(32)33)23-25(19-7-6-18(27)13-21(19)29)34-26(31-23)16-9-11-30-12-10-16/h2-8,13-14,16,30H,9-12H2,1H3.
What are the key properties of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one?
5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2-fluoro-6-methylphenyl)pyridin-2-one has a molecular weight of 465.48 g/mol, XLogP of 5.35, 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-fluoro-6-methylphenyl)pyridin-2-one is sourced from PubChem (CID 66670210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).