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

C29H32FN7O7 — CID 91575697

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

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate (PubChem CID 91575697) has the molecular formula C29H32FN7O7 and a molecular weight of 609.62 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]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate.

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]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate
• PubChem CID: 91575697
• Molecular Formula: C29H32FN7O7
• Molecular Weight: 609.62 g/mol
• Exact Mass: 609.23
• IUPAC Name: [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate
• SMILES: COC(=O)N(C)CCCCC(=O)OC[C@@H]1C=C(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)NO1
• InChI: InChI=1S/C29H32FN7O7/c1-35(28(39)41-2)11-4-3-5-27(38)42-18-21-14-26(33-44-21)25-9-6-19(15-31-25)23-8-7-20(13-24(23)30)37-17-22(43-29(37)40)16-36-12-10-32-34-36/h6-10,12-15,21-22,33H,3-5,11,16-18H2,1-2H3/t21-,22-/m0/s1
• InChIKey: MLIGJHVAEDIEPA-VXKWHMMOSA-N
• XLogP: 3.16
• TPSA: 150.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.62
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
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]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate?

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]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate (CID 91575697) is [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate.

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]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate?

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]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate is COC(=O)N(C)CCCCC(=O)OC[C@@H]1C=C(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]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate?

The InChIKey is MLIGJHVAEDIEPA-VXKWHMMOSA-N. The full InChI is InChI=1S/C29H32FN7O7/c1-35(28(39)41-2)11-4-3-5-27(38)42-18-21-14-26(33-44-21)25-9-6-19(15-31-25)23-8-7-20(13-24(23)30)37-17-22(43-29(37)40)16-36-12-10-32-34-36/h6-10,12-15,21-22,33H,3-5,11,16-18H2,1-2H3/t21-,22-/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]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate?

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate has a molecular weight of 609.62 g/mol, XLogP of 3.16, 12 rotatable bonds, 1 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]-2,5-dihydro-1,2-oxazol-5-yl]methyl 5-[methoxycarbonyl(methyl)amino]pentanoate is sourced from PubChem (CID 91575697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).