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

C18H20FN3O5 — CID 155930900

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

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde (PubChem CID 155930900) has the molecular formula C18H20FN3O5 and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde.

Molecular Properties

• Compound Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde
• PubChem CID: 155930900
• Molecular Formula: C18H20FN3O5
• Molecular Weight: 377.37 g/mol
• Exact Mass: 377.14
• IUPAC Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde
• SMILES: C[C@@H]1CN(c2c(C=O)cc3c(N4C(=O)OC[C@@H]4C)noc3c2F)C[C@@H](C)O1
• InChI: InChI=1S/C18H20FN3O5/c1-9-8-25-18(24)22(9)17-13-4-12(7-23)15(14(19)16(13)27-20-17)21-5-10(2)26-11(3)6-21/h4,7,9-11H,5-6,8H2,1-3H3/t9-,10+,11+/m0/s1
• InChIKey: BRPHUKUUHTVKMX-HBNTYKKESA-N
• XLogP: 2.74
• TPSA: 85.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.37
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde?

The IUPAC name of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde (CID 155930900) is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde.

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

The canonical SMILES for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde is C[C@@H]1CN(c2c(C=O)cc3c(N4C(=O)OC[C@@H]4C)noc3c2F)C[C@@H](C)O1.

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

The InChIKey is BRPHUKUUHTVKMX-HBNTYKKESA-N. The full InChI is InChI=1S/C18H20FN3O5/c1-9-8-25-18(24)22(9)17-13-4-12(7-23)15(14(19)16(13)27-20-17)21-5-10(2)26-11(3)6-21/h4,7,9-11H,5-6,8H2,1-3H3/t9-,10+,11+/m0/s1.

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

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde has a molecular weight of 377.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde is sourced from PubChem (CID 155930900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).