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

C26H23F3N2O3 — CID 67254776

IUPAC5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1-n1cc(-c2nc(C(O)C(C)C)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C26H23F3N2O3/c1-13(2)24(33)26-30-22(25(34-26)19-7-6-17(27)11-20(19)29)16-5-8-21(32)31(12-16)23-14(3)9-18(28)10-15(23)4/h5-13,24,33H,1-4H3
InChIKeyHBWSIVXKIOWGOD-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.88
Rot. Bonds5

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

5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one (PubChem CID 67254776) has the molecular formula C26H23F3N2O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
PubChem CID67254776
Molecular FormulaC26H23F3N2O3
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC Name5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1-n1cc(-c2nc(C(O)C(C)C)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C26H23F3N2O3/c1-13(2)24(33)26-30-22(25(34-26)19-7-6-17(27)11-20(19)29)16-5-8-21(32)31(12-16)23-14(3)9-18(28)10-15(23)4/h5-13,24,33H,1-4H3
InChIKeyHBWSIVXKIOWGOD-UHFFFAOYSA-N
XLogP5.88
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.88
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-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one?
The IUPAC name of 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) is 5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-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-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one is Cc1cc(F)cc(C)c1-n1cc(-c2nc(C(O)C(C)C)oc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one?
The InChIKey is HBWSIVXKIOWGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3/c1-13(2)24(33)26-30-22(25(34-26)19-7-6-17(27)11-20(19)29)16-5-8-21(32)31(12-16)23-14(3)9-18(28)10-15(23)4/h5-13,24,33H,1-4H3.
What are the key properties of 5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one?
5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one has a molecular weight of 468.48 g/mol, XLogP of 5.88, 5 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-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one is sourced from PubChem (CID 67254776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).