6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile

C19H20N4O5 — CID 163522734

About 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile (PubChem CID 163522734) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile.

Molecular Properties

• Compound Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile
• PubChem CID: 163522734
• Molecular Formula: C19H20N4O5
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.14
• IUPAC Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile
• SMILES: C[C@@H]1CN(c2noc3c(C#N)c(N4C[C@@H](C)O[C@H](C)C4)c(C=O)cc23)C(=O)O1
• InChI: InChI=1S/C19H20N4O5/c1-10-6-22(7-11(2)26-10)16-13(9-24)4-14-17(15(16)5-20)28-21-18(14)23-8-12(3)27-19(23)25/h4,9-12H,6-8H2,1-3H3/t10-,11-,12-/m1/s1
• InChIKey: DMFNBUQGIFVALA-IJLUTSLNSA-N
• XLogP: 2.47
• TPSA: 108.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile?

The IUPAC name of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile (CID 163522734) is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile.

What is the SMILES notation for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile?

The canonical SMILES for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile is C[C@@H]1CN(c2noc3c(C#N)c(N4C[C@@H](C)O[C@H](C)C4)c(C=O)cc23)C(=O)O1.

What is the InChIKey of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile?

The InChIKey is DMFNBUQGIFVALA-IJLUTSLNSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-10-6-22(7-11(2)26-10)16-13(9-24)4-14-17(15(16)5-20)28-21-18(14)23-8-12(3)27-19(23)25/h4,9-12H,6-8H2,1-3H3/t10-,11-,12-/m1/s1.

What are the key properties of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile?

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile has a molecular weight of 384.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile is sourced from PubChem (CID 163522734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).