5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one

C21H19FN2O3 — CID 86295259

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one (PubChem CID 86295259) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one
• PubChem CID: 86295259
• Molecular Formula: C21H19FN2O3
• Molecular Weight: 366.39 g/mol
• Exact Mass: 366.14
• IUPAC Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one
• SMILES: COc1cc(F)cc(C2c3cc(-c4c(C)noc4C)ccc3C(=O)N2C)c1
• InChI: InChI=1S/C21H19FN2O3/c1-11-19(12(2)27-23-11)13-5-6-17-18(9-13)20(24(3)21(17)25)14-7-15(22)10-16(8-14)26-4/h5-10,20H,1-4H3
• InChIKey: YPVQISJFDKOJML-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.39
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one?

The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one (CID 86295259) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one.

What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one?

The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one is COc1cc(F)cc(C2c3cc(-c4c(C)noc4C)ccc3C(=O)N2C)c1.

What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one?

The InChIKey is YPVQISJFDKOJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-11-19(12(2)27-23-11)13-5-6-17-18(9-13)20(24(3)21(17)25)14-7-15(22)10-16(8-14)26-4/h5-10,20H,1-4H3.

What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one?

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one has a molecular weight of 366.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 86295259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).