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

C27H29N5O3 — CID 58070326

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

5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one (PubChem CID 58070326) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-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-(oxan-2-ylmethyl)pyridin-2-one
• PubChem CID: 58070326
• Molecular Formula: C27H29N5O3
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.23
• IUPAC Name: 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one
• SMILES: CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CC5CCCCO5)c4)cnc3C)on2)cc1
• InChI: InChI=1S/C27H29N5O3/c1-18-27(25-13-23(31-35-25)20-8-6-19(7-9-20)14-28-2)30-24(15-29-18)21-10-11-26(33)32(16-21)17-22-5-3-4-12-34-22/h6-11,13,15-16,22,28H,3-5,12,14,17H2,1-2H3
• InChIKey: QSQVLVBCPYHPJR-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	4.22
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-(oxan-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-(oxan-2-ylmethyl)pyridin-2-one (CID 58070326) is 5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-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-(oxan-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-(oxan-2-ylmethyl)pyridin-2-one is CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CC5CCCCO5)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-(oxan-2-ylmethyl)pyridin-2-one?

The InChIKey is QSQVLVBCPYHPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-18-27(25-13-23(31-35-25)20-8-6-19(7-9-20)14-28-2)30-24(15-29-18)21-10-11-26(33)32(16-21)17-22-5-3-4-12-34-22/h6-11,13,15-16,22,28H,3-5,12,14,17H2,1-2H3.

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

5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one has a molecular weight of 471.56 g/mol, XLogP of 4.22, 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-(oxan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 58070326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).