2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide

C30H29N7O2 — CID 67035407

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide (PubChem CID 67035407) has the molecular formula C30H29N7O2 and a molecular weight of 519.61 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide
• PubChem CID: 67035407
• Molecular Formula: C30H29N7O2
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.24
• IUPAC Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide
• SMILES: Cc1cc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)on1
• InChI: InChI=1S/C30H29N7O2/c1-21-15-26(39-35-21)17-30(38)33-25-7-4-23(5-8-25)24-6-9-27-28(16-24)34-29(19-32-27)37-13-11-36(12-14-37)20-22-3-2-10-31-18-22/h2-10,15-16,18-19H,11-14,17,20H2,1H3,(H,33,38)
• InChIKey: LHCKBYXKWWFMGP-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 100.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide?

The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide (CID 67035407) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide.

What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide?

The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide is Cc1cc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)on1.

What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide?

The InChIKey is LHCKBYXKWWFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2/c1-21-15-26(39-35-21)17-30(38)33-25-7-4-23(5-8-25)24-6-9-27-28(16-24)34-29(19-32-27)37-13-11-36(12-14-37)20-22-3-2-10-31-18-22/h2-10,15-16,18-19H,11-14,17,20H2,1H3,(H,33,38).

What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide?

2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide has a molecular weight of 519.61 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide is sourced from PubChem (CID 67035407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).