[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate

C30H34FN7O7 — CID 58758463

About [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate (PubChem CID 58758463) has the molecular formula C30H34FN7O7 and a molecular weight of 623.64 g/mol. Its IUPAC name is [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate.

Molecular Properties

• Compound Name: [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate
• PubChem CID: 58758463
• Molecular Formula: C30H34FN7O7
• Molecular Weight: 623.64 g/mol
• Exact Mass: 623.25
• IUPAC Name: [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate
• SMILES: COC(=O)N(C)CCCCCC(=O)OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
• InChI: InChI=1S/C30H34FN7O7/c1-36(29(40)42-2)12-5-3-4-6-28(39)43-19-22-15-27(34-45-22)26-10-7-20(16-32-26)24-9-8-21(14-25(24)31)38-18-23(44-30(38)41)17-37-13-11-33-35-37/h7-11,13-14,16,22-23H,3-6,12,15,17-19H2,1-2H3/t22-,23-/m0/s1
• InChIKey: IKBNULDTOMYYKM-GOTSBHOMSA-N
• XLogP: 3.80
• TPSA: 150.57 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.64
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate?

The IUPAC name of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate (CID 58758463) is [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate.

What is the SMILES notation for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate?

The canonical SMILES for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate is COC(=O)N(C)CCCCCC(=O)OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.

What is the InChIKey of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate?

The InChIKey is IKBNULDTOMYYKM-GOTSBHOMSA-N. The full InChI is InChI=1S/C30H34FN7O7/c1-36(29(40)42-2)12-5-3-4-6-28(39)43-19-22-15-27(34-45-22)26-10-7-20(16-32-26)24-9-8-21(14-25(24)31)38-18-23(44-30(38)41)17-37-13-11-33-35-37/h7-11,13-14,16,22-23H,3-6,12,15,17-19H2,1-2H3/t22-,23-/m0/s1.

What are the key properties of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate?

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate has a molecular weight of 623.64 g/mol, XLogP of 3.80, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate is sourced from PubChem (CID 58758463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).