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

C25H20ClF2N3O2S — CID 66670345

IUPAC1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-thiazolidin-4-yl)-1,3-oxazol-4-yl]pyridin-2-one
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc(C3CSCN3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C25H20ClF2N3O2S/c1-13-7-16(26)8-14(2)23(13)31-10-15(3-6-21(31)32)22-24(18-5-4-17(27)9-19(18)28)33-25(30-22)20-11-34-12-29-20/h3-10,20,29H,11-12H2,1-2H3
InChIKeyVEGVMYZVHPXWME-UHFFFAOYSA-N
MW499.97 g/mol
LogP6.04
Rot. Bonds4

About 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

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 (PubChem CID 66670345) has the molecular formula C25H20ClF2N3O2S and a molecular weight of 499.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-thiazolidin-4-yl)-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID66670345
Molecular FormulaC25H20ClF2N3O2S
Molecular Weight499.97 g/mol
Exact Mass499.09
IUPAC Name1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-thiazolidin-4-yl)-1,3-oxazol-4-yl]pyridin-2-one
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc(C3CSCN3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C25H20ClF2N3O2S/c1-13-7-16(26)8-14(2)23(13)31-10-15(3-6-21(31)32)22-24(18-5-4-17(27)9-19(18)28)33-25(30-22)20-11-34-12-29-20/h3-10,20,29H,11-12H2,1-2H3
InChIKeyVEGVMYZVHPXWME-UHFFFAOYSA-N
XLogP6.04
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.97
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5307095
CID 5307095
CID 16009931
CID 16009931
CID 20860393
CID 20860393
CID 20876796
CID 20876796
CID 20968904
CID 20968904
CID 16007832
CID 16007832
CID 16007860
CID 16007860
CID 16007896
CID 16007896
CID 20860415
CID 20860415
CID 15945507
CID 15945507
CID 4681860
CID 4681860
CID 20860110
CID 20860110

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cl)cc(C)c1-n1cc(-c2nc(C3CSCN3)oc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 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?
The InChIKey is VEGVMYZVHPXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N3O2S/c1-13-7-16(26)8-14(2)23(13)31-10-15(3-6-21(31)32)22-24(18-5-4-17(27)9-19(18)28)33-25(30-22)20-11-34-12-29-20/h3-10,20,29H,11-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 499.97 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66670345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).