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

C27H25F2N3O2 — CID 11691162

IUPAC5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cccc(C)c1-n1cc(-c2nc([C@H]3CCCNC3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C27H25F2N3O2/c1-16-5-3-6-17(2)25(16)32-15-19(8-11-23(32)33)24-26(21-10-9-20(28)13-22(21)29)34-27(31-24)18-7-4-12-30-14-18/h3,5-6,8-11,13,15,18,30H,4,7,12,14H2,1-2H3/t18-/m0/s1
InChIKeyFWBDMNPLBULRHN-SFHVURJKSA-N
MW461.51 g/mol
LogP5.52
Rot. Bonds4

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

5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one (PubChem CID 11691162) has the molecular formula C27H25F2N3O2 and a molecular weight of 461.51 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
PubChem CID11691162
Molecular FormulaC27H25F2N3O2
Molecular Weight461.51 g/mol
Exact Mass461.19
IUPAC Name5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cccc(C)c1-n1cc(-c2nc([C@H]3CCCNC3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C27H25F2N3O2/c1-16-5-3-6-17(2)25(16)32-15-19(8-11-23(32)33)24-26(21-10-9-20(28)13-22(21)29)34-27(31-24)18-7-4-12-30-14-18/h3,5-6,8-11,13,15,18,30H,4,7,12,14H2,1-2H3/t18-/m0/s1
InChIKeyFWBDMNPLBULRHN-SFHVURJKSA-N
XLogP5.52
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 55.52
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-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one?
The IUPAC name of 5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one (CID 11691162) is 5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one is Cc1cccc(C)c1-n1cc(-c2nc([C@H]3CCCNC3)oc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one?
The InChIKey is FWBDMNPLBULRHN-SFHVURJKSA-N. The full InChI is InChI=1S/C27H25F2N3O2/c1-16-5-3-6-17(2)25(16)32-15-19(8-11-23(32)33)24-26(21-10-9-20(28)13-22(21)29)34-27(31-24)18-7-4-12-30-14-18/h3,5-6,8-11,13,15,18,30H,4,7,12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one?
5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one has a molecular weight of 461.51 g/mol, XLogP of 5.52, 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-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one is sourced from PubChem (CID 11691162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).