N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide

C22H25F2N3O6S — CID 146310155

About N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide

N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide (PubChem CID 146310155) has the molecular formula C22H25F2N3O6S and a molecular weight of 497.52 g/mol. Its IUPAC name is N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
• PubChem CID: 146310155
• Molecular Formula: C22H25F2N3O6S
• Molecular Weight: 497.52 g/mol
• Exact Mass: 497.14
• IUPAC Name: N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
• SMILES: O=C(NCC1CN(c2cc(F)c(N3CCC4(CC3)CS(O)(O)C4)c(F)c2)C(=O)O1)c1ccco1
• InChI: InChI=1S/C22H25F2N3O6S/c23-16-8-14(27-11-15(33-21(27)29)10-25-20(28)18-2-1-7-32-18)9-17(24)19(16)26-5-3-22(4-6-26)12-34(30,31)13-22/h1-2,7-9,15,30-31H,3-6,10-13H2,(H,25,28)
• InChIKey: IDELGKUGFARPKD-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 115.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.52
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide (CID 146310155) is N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide is O=C(NCC1CN(c2cc(F)c(N3CCC4(CC3)CS(O)(O)C4)c(F)c2)C(=O)O1)c1ccco1.

What is the InChIKey of N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?

The InChIKey is IDELGKUGFARPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O6S/c23-16-8-14(27-11-15(33-21(27)29)10-25-20(28)18-2-1-7-32-18)9-17(24)19(16)26-5-3-22(4-6-26)12-34(30,31)13-22/h1-2,7-9,15,30-31H,3-6,10-13H2,(H,25,28).

What are the key properties of N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?

N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide has a molecular weight of 497.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 146310155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).