[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

C23H32N4O5 — CID 30700609

About [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 30700609) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
• PubChem CID: 30700609
• Molecular Formula: C23H32N4O5
• Molecular Weight: 444.53 g/mol
• Exact Mass: 444.24
• IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
• SMILES: CC(C)c1noc2ncc(C(=O)OCC(=O)NCC3(N4CCOCC4)CCCCC3)cc12
• InChI: InChI=1S/C23H32N4O5/c1-16(2)20-18-12-17(13-24-21(18)32-26-20)22(29)31-14-19(28)25-15-23(6-4-3-5-7-23)27-8-10-30-11-9-27/h12-13,16H,3-11,14-15H2,1-2H3,(H,25,28)
• InChIKey: XWYKHDLJHJUHKQ-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.53
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?

The IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (CID 30700609) is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

What is the SMILES notation for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?

The canonical SMILES for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is CC(C)c1noc2ncc(C(=O)OCC(=O)NCC3(N4CCOCC4)CCCCC3)cc12.

What is the InChIKey of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?

The InChIKey is XWYKHDLJHJUHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-16(2)20-18-12-17(13-24-21(18)32-26-20)22(29)31-14-19(28)25-15-23(6-4-3-5-7-23)27-8-10-30-11-9-27/h12-13,16H,3-11,14-15H2,1-2H3,(H,25,28).

What are the key properties of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 444.53 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 30700609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).