5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one

C26H27N5O3 — CID 58070371

About 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one

5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 58070371) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one
• PubChem CID: 58070371
• Molecular Formula: C26H27N5O3
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.21
• IUPAC Name: 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one
• SMILES: CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CC5CCCO5)c4)cnc3C)on2)cc1
• InChI: InChI=1S/C26H27N5O3/c1-17-26(24-12-22(30-34-24)19-7-5-18(6-8-19)13-27-2)29-23(14-28-17)20-9-10-25(32)31(15-20)16-21-4-3-11-33-21/h5-10,12,14-15,21,27H,3-4,11,13,16H2,1-2H3
• InChIKey: UUUBNWDHYPLQGQ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one?

The IUPAC name of 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 58070371) is 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one.

What is the SMILES notation for 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one?

The canonical SMILES for 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one is CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CC5CCCO5)c4)cnc3C)on2)cc1.

What is the InChIKey of 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one?

The InChIKey is UUUBNWDHYPLQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-17-26(24-12-22(30-34-24)19-7-5-18(6-8-19)13-27-2)29-23(14-28-17)20-9-10-25(32)31(15-20)16-21-4-3-11-33-21/h5-10,12,14-15,21,27H,3-4,11,13,16H2,1-2H3.

What are the key properties of 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one?

5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 457.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 58070371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).