ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate

C34H29F4N7O6 — CID 10233827

About ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 10233827) has the molecular formula C34H29F4N7O6 and a molecular weight of 707.64 g/mol. Its IUPAC name is ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
• PubChem CID: 10233827
• Molecular Formula: C34H29F4N7O6
• Molecular Weight: 707.64 g/mol
• Exact Mass: 707.21
• IUPAC Name: ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCN(c4ccc(N5C[C@H](CNc6ccon6)OC5=O)cc4F)CC3)c(F)cc2c1=O
• InChI: InChI=1S/C34H29F4N7O6/c1-2-49-33(47)23-18-45(28-5-3-19(35)13-24(28)36)31-22(30(23)46)15-26(38)32(40-31)43-10-8-42(9-11-43)27-6-4-20(14-25(27)37)44-17-21(51-34(44)48)16-39-29-7-12-50-41-29/h3-7,12-15,18,21H,2,8-11,16-17H2,1H3,(H,39,41)/t21-/m0/s1
• InChIKey: FVSWOBPMRYBCPI-NRFANRHFSA-N
• XLogP: 4.87
• TPSA: 135.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.64
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate (CID 10233827) is ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCN(c4ccc(N5C[C@H](CNc6ccon6)OC5=O)cc4F)CC3)c(F)cc2c1=O.

What is the InChIKey of ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate?

The InChIKey is FVSWOBPMRYBCPI-NRFANRHFSA-N. The full InChI is InChI=1S/C34H29F4N7O6/c1-2-49-33(47)23-18-45(28-5-3-19(35)13-24(28)36)31-22(30(23)46)15-26(38)32(40-31)43-10-8-42(9-11-43)27-6-4-20(14-25(27)37)44-17-21(51-34(44)48)16-39-29-7-12-50-41-29/h3-7,12-15,18,21H,2,8-11,16-17H2,1H3,(H,39,41)/t21-/m0/s1.

What are the key properties of ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate?

ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 707.64 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 10233827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).