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

C25H19F4N3O2 — CID 59009932

IUPAC1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)cn1-c1c(F)cccc1F
InChIInChI=1S/C25H19F4N3O2/c26-16-5-6-17(20(29)12-16)24-22(31-25(34-24)14-8-10-30-11-9-14)15-4-7-21(33)32(13-15)23-18(27)2-1-3-19(23)28/h1-7,12-14,30H,8-11H2
InChIKeyMTSQWARPHGHURK-UHFFFAOYSA-N
MW469.44 g/mol
LogP5.18
Rot. Bonds4

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

1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 59009932) has the molecular formula C25H19F4N3O2 and a molecular weight of 469.44 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID59009932
Molecular FormulaC25H19F4N3O2
Molecular Weight469.44 g/mol
Exact Mass469.14
IUPAC Name1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)cn1-c1c(F)cccc1F
InChIInChI=1S/C25H19F4N3O2/c26-16-5-6-17(20(29)12-16)24-22(31-25(34-24)14-8-10-30-11-9-14)15-4-7-21(33)32(13-15)23-18(27)2-1-3-19(23)28/h1-7,12-14,30H,8-11H2
InChIKeyMTSQWARPHGHURK-UHFFFAOYSA-N
XLogP5.18
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 11691162
5-[5-(2,4-difluorophenyl)-2-(4-oxocyclohexyl)-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 67254588
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67255925
5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 68688804
5-[5-(2,4-difluorophenyl)-2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 68691439
5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 68691228
5-[5-(2,4-difluorophenyl)-2-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]-1-[2,6-dimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridin-2-one
CID 67253704
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 68691314
1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one
CID 67256618
5-[5-(2,4-difluorophenyl)-2-(1,1-dihydroxythian-4-yl)-1,3-oxazol-4-yl]-1-[4-(3-hydroxyprop-1-ynyl)-2,6-dimethylphenyl]pyridin-2-one
CID 67253293
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67256253
5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one
CID 66670119

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one (CID 59009932) is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one is O=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)cn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one?
The InChIKey is MTSQWARPHGHURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N3O2/c26-16-5-6-17(20(29)12-16)24-22(31-25(34-24)14-8-10-30-11-9-14)15-4-7-21(33)32(13-15)23-18(27)2-1-3-19(23)28/h1-7,12-14,30H,8-11H2.
What are the key properties of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 469.44 g/mol, XLogP of 5.18, 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-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 59009932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).