N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide

C20H23F2N3O3S — CID 126496070

About N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide

N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide (PubChem CID 126496070) has the molecular formula C20H23F2N3O3S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide
• PubChem CID: 126496070
• Molecular Formula: C20H23F2N3O3S
• Molecular Weight: 423.49 g/mol
• Exact Mass: 423.14
• IUPAC Name: N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide
• SMILES: O=C(NC[C@H]1CN(c2cc(F)c(N3CC4(CSC4)C3)c(F)c2)C(=O)O1)C1CCC1
• InChI: InChI=1S/C20H23F2N3O3S/c21-15-4-13(5-16(22)17(15)24-8-20(9-24)10-29-11-20)25-7-14(28-19(25)27)6-23-18(26)12-2-1-3-12/h4-5,12,14H,1-3,6-11H2,(H,23,26)/t14-/m0/s1
• InChIKey: UNCWTYIYQXEARU-AWEZNQCLSA-N
• XLogP: 2.76
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.49
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide?

The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide (CID 126496070) is N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide.

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

The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide is O=C(NC[C@H]1CN(c2cc(F)c(N3CC4(CSC4)C3)c(F)c2)C(=O)O1)C1CCC1.

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

The InChIKey is UNCWTYIYQXEARU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23F2N3O3S/c21-15-4-13(5-16(22)17(15)24-8-20(9-24)10-29-11-20)25-7-14(28-19(25)27)6-23-18(26)12-2-1-3-12/h4-5,12,14H,1-3,6-11H2,(H,23,26)/t14-/m0/s1.

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

N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide has a molecular weight of 423.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 126496070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).