N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

C16H19F2N3O5S — CID 126494525

About N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (PubChem CID 126494525) has the molecular formula C16H19F2N3O5S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
• PubChem CID: 126494525
• Molecular Formula: C16H19F2N3O5S
• Molecular Weight: 403.41 g/mol
• Exact Mass: 403.10
• IUPAC Name: N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
• SMILES: CS(=O)(=O)NC[C@H]1CN(c2cc(F)c(N3CC4(COC4)C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C16H19F2N3O5S/c1-27(23,24)19-4-11-5-21(15(22)26-11)10-2-12(17)14(13(18)3-10)20-6-16(7-20)8-25-9-16/h2-3,11,19H,4-9H2,1H3/t11-/m0/s1
• InChIKey: VEKGJIIDBLXEMN-NSHDSACASA-N
• XLogP: 0.68
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.41
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (CID 126494525) is N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CN(c2cc(F)c(N3CC4(COC4)C3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?

The InChIKey is VEKGJIIDBLXEMN-NSHDSACASA-N. The full InChI is InChI=1S/C16H19F2N3O5S/c1-27(23,24)19-4-11-5-21(15(22)26-11)10-2-12(17)14(13(18)3-10)20-6-16(7-20)8-25-9-16/h2-3,11,19H,4-9H2,1H3/t11-/m0/s1.

What are the key properties of N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?

N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide has a molecular weight of 403.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5R)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 126494525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).