N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide

C20H20F2N4O6S — CID 10206165

About N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide

N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide (PubChem CID 10206165) has the molecular formula C20H20F2N4O6S and a molecular weight of 482.47 g/mol. Its IUPAC name is N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide
• PubChem CID: 10206165
• Molecular Formula: C20H20F2N4O6S
• Molecular Weight: 482.47 g/mol
• Exact Mass: 482.11
• IUPAC Name: N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide
• SMILES: O=C(CO)N=S1(=O)CC=C(c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1
• InChI: InChI=1S/C20H20F2N4O6S/c21-15-7-13(26-10-14(32-20(26)29)9-23-17-1-4-31-24-17)8-16(22)19(15)12-2-5-33(30,6-3-12)25-18(28)11-27/h1-2,4,7-8,14,27H,3,5-6,9-11H2,(H,23,24)/t14-,33?/m0/s1
• InChIKey: JJBGVOUMEBSXSI-CXHKVZMHSA-N
• XLogP: 2.16
• TPSA: 134.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.47
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide?

The IUPAC name of N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide (CID 10206165) is N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide.

What is the SMILES notation for N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide?

The canonical SMILES for N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide is O=C(CO)N=S1(=O)CC=C(c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1.

What is the InChIKey of N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide?

The InChIKey is JJBGVOUMEBSXSI-CXHKVZMHSA-N. The full InChI is InChI=1S/C20H20F2N4O6S/c21-15-7-13(26-10-14(32-20(26)29)9-23-17-1-4-31-24-17)8-16(22)19(15)12-2-5-33(30,6-3-12)25-18(28)11-27/h1-2,4,7-8,14,27H,3,5-6,9-11H2,(H,23,24)/t14-,33?/m0/s1.

What are the key properties of N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide?

N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide has a molecular weight of 482.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide is sourced from PubChem (CID 10206165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).