5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one

C27H32N6O3 — CID 58070336

About 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one

5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 58070336) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one
• PubChem CID: 58070336
• Molecular Formula: C27H32N6O3
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.25
• IUPAC Name: 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one
• SMILES: COc1cc(CNC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2C)o1
• InChI: InChI=1S/C27H32N6O3/c1-16(2)33-15-19(9-11-23(33)34)21-14-28-17(3)24(30-21)26-32-31-25(36-26)20-10-8-18(12-22(20)35-7)13-29-27(4,5)6/h8-12,14-16,29H,13H2,1-7H3
• InChIKey: HMEYHWLVAKIZRJ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one?

The IUPAC name of 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 58070336) is 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

What is the SMILES notation for 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one?

The canonical SMILES for 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one is COc1cc(CNC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2C)o1.

What is the InChIKey of 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one?

The InChIKey is HMEYHWLVAKIZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-16(2)33-15-19(9-11-23(33)34)21-14-28-17(3)24(30-21)26-32-31-25(36-26)20-10-8-18(12-22(20)35-7)13-29-27(4,5)6/h8-12,14-16,29H,13H2,1-7H3.

What are the key properties of 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one?

5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 488.59 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 58070336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).