2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide

C22H32FN5O5S — CID 11755606

About 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide

2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide (PubChem CID 11755606) has the molecular formula C22H32FN5O5S and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide.

Molecular Properties

• Compound Name: 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide
• PubChem CID: 11755606
• Molecular Formula: C22H32FN5O5S
• Molecular Weight: 497.59 g/mol
• Exact Mass: 497.21
• IUPAC Name: 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide
• SMILES: COCC(=O)N1CCN(c2ccc(N3C[C@@H](CNC(=O)C(N)CCSC)OC3=O)cc2F)CC1
• InChI: InChI=1S/C22H32FN5O5S/c1-32-14-20(29)27-8-6-26(7-9-27)19-4-3-15(11-17(19)23)28-13-16(33-22(28)31)12-25-21(30)18(24)5-10-34-2/h3-4,11,16,18H,5-10,12-14,24H2,1-2H3,(H,25,30)/t16-,18?/m1/s1
• InChIKey: OKDVDEDPNRXPBI-PYUWXLGESA-N
• XLogP: 0.64
• TPSA: 117.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.59
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide?

The IUPAC name of 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide (CID 11755606) is 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide.

What is the SMILES notation for 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide?

The canonical SMILES for 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide is COCC(=O)N1CCN(c2ccc(N3C[C@@H](CNC(=O)C(N)CCSC)OC3=O)cc2F)CC1.

What is the InChIKey of 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide?

The InChIKey is OKDVDEDPNRXPBI-PYUWXLGESA-N. The full InChI is InChI=1S/C22H32FN5O5S/c1-32-14-20(29)27-8-6-26(7-9-27)19-4-3-15(11-17(19)23)28-13-16(33-22(28)31)12-25-21(30)18(24)5-10-34-2/h3-4,11,16,18H,5-10,12-14,24H2,1-2H3,(H,25,30)/t16-,18?/m1/s1.

What are the key properties of 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide?

2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide has a molecular weight of 497.59 g/mol, XLogP of 0.64, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[[(5R)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 11755606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).