5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one

C32H32F3N3O3 — CID 68691228

IUPAC5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1-n1cc(-c2nc(C3CCC(N4CCOCC4)CC3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C32H32F3N3O3/c1-19-15-24(34)16-20(2)30(19)38-18-22(5-10-28(38)39)29-31(26-9-6-23(33)17-27(26)35)41-32(36-29)21-3-7-25(8-4-21)37-11-13-40-14-12-37/h5-6,9-10,15-18,21,25H,3-4,7-8,11-14H2,1-2H3
InChIKeyXKAWLTKQWBYGHA-UHFFFAOYSA-N
MW563.62 g/mol
LogP6.55
Rot. Bonds5

About 5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one

5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one (PubChem CID 68691228) has the molecular formula C32H32F3N3O3 and a molecular weight of 563.62 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
PubChem CID68691228
Molecular FormulaC32H32F3N3O3
Molecular Weight563.62 g/mol
Exact Mass563.24
IUPAC Name5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1-n1cc(-c2nc(C3CCC(N4CCOCC4)CC3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C32H32F3N3O3/c1-19-15-24(34)16-20(2)30(19)38-18-22(5-10-28(38)39)29-31(26-9-6-23(33)17-27(26)35)41-32(36-29)21-3-7-25(8-4-21)37-11-13-40-14-12-37/h5-6,9-10,15-18,21,25H,3-4,7-8,11-14H2,1-2H3
InChIKeyXKAWLTKQWBYGHA-UHFFFAOYSA-N
XLogP6.55
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.62
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-oxocyclohexyl)-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 67254588
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
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-(1,1-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-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67256253
5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 11691162
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one
CID 59009932
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
5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 67254776
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-thiazolidin-4-yl)-1,3-oxazol-4-yl]pyridin-2-one
CID 66670345
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 68688110

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one?
The IUPAC name of 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) is 5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one is Cc1cc(F)cc(C)c1-n1cc(-c2nc(C3CCC(N4CCOCC4)CC3)oc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one?
The InChIKey is XKAWLTKQWBYGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N3O3/c1-19-15-24(34)16-20(2)30(19)38-18-22(5-10-28(38)39)29-31(26-9-6-23(33)17-27(26)35)41-32(36-29)21-3-7-25(8-4-21)37-11-13-40-14-12-37/h5-6,9-10,15-18,21,25H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one?
5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one has a molecular weight of 563.62 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one is sourced from PubChem (CID 68691228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).