[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

C20H31N3O5 — CID 55475726

About [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (PubChem CID 55475726) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

• Compound Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
• PubChem CID: 55475726
• Molecular Formula: C20H31N3O5
• Molecular Weight: 393.48 g/mol
• Exact Mass: 393.23
• IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
• SMILES: Cc1noc(C)c1CC(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1
• InChI: InChI=1S/C20H31N3O5/c1-15-17(16(2)28-22-15)12-19(25)27-13-18(24)21-14-20(6-4-3-5-7-20)23-8-10-26-11-9-23/h3-14H2,1-2H3,(H,21,24)
• InChIKey: VCEBKJJGBIQHFY-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.48
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?

The IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (CID 55475726) is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

What is the SMILES notation for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?

The canonical SMILES for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is Cc1noc(C)c1CC(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1.

What is the InChIKey of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?

The InChIKey is VCEBKJJGBIQHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-15-17(16(2)28-22-15)12-19(25)27-13-18(24)21-14-20(6-4-3-5-7-20)23-8-10-26-11-9-23/h3-14H2,1-2H3,(H,21,24).

What are the key properties of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 393.48 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 55475726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).