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

C30H26F2N4O5S — CID 67253704

IUPAC5-[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
SMILESCc1noc(-c2cc(C)c(-n3cc(-c4nc(C5CCS(=O)(=O)CC5)oc4-c4ccc(F)cc4F)ccc3=O)c(C)c2)n1
InChIInChI=1S/C30H26F2N4O5S/c1-16-12-21(30-33-18(3)35-41-30)13-17(2)27(16)36-15-20(4-7-25(36)37)26-28(23-6-5-22(31)14-24(23)32)40-29(34-26)19-8-10-42(38,39)11-9-19/h4-7,12-15,19H,8-11H2,1-3H3
InChIKeyDGYMZTYBYKNLDM-UHFFFAOYSA-N
MW592.62 g/mol
LogP5.71
Rot. Bonds5

About 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

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 (PubChem CID 67253704) has the molecular formula C30H26F2N4O5S and a molecular weight of 592.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID67253704
Molecular FormulaC30H26F2N4O5S
Molecular Weight592.62 g/mol
Exact Mass592.16
IUPAC Name5-[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
SMILESCc1noc(-c2cc(C)c(-n3cc(-c4nc(C5CCS(=O)(=O)CC5)oc4-c4ccc(F)cc4F)ccc3=O)c(C)c2)n1
InChIInChI=1S/C30H26F2N4O5S/c1-16-12-21(30-33-18(3)35-41-30)13-17(2)27(16)36-15-20(4-7-25(36)37)26-28(23-6-5-22(31)14-24(23)32)40-29(34-26)19-8-10-42(38,39)11-9-19/h4-7,12-15,19H,8-11H2,1-3H3
InChIKeyDGYMZTYBYKNLDM-UHFFFAOYSA-N
XLogP5.71
TPSA121.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.62
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-(4-oxocyclohexyl)-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 67254588
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-(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-[(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
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
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
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
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 68693948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(-c2cc(C)c(-n3cc(-c4nc(C5CCS(=O)(=O)CC5)oc4-c4ccc(F)cc4F)ccc3=O)c(C)c2)n1.
What is the InChIKey of 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?
The InChIKey is DGYMZTYBYKNLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N4O5S/c1-16-12-21(30-33-18(3)35-41-30)13-17(2)27(16)36-15-20(4-7-25(36)37)26-28(23-6-5-22(31)14-24(23)32)40-29(34-26)19-8-10-42(38,39)11-9-19/h4-7,12-15,19H,8-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 592.62 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67253704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).