(5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C35H49F2N5O5Si2 — CID 10101342

About (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10101342) has the molecular formula C35H49F2N5O5Si2 and a molecular weight of 713.98 g/mol. Its IUPAC name is (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 10101342
• Molecular Formula: C35H49F2N5O5Si2
• Molecular Weight: 713.98 g/mol
• Exact Mass: 713.32
• IUPAC Name: (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)c(F)c2)=NO1
• InChI: InChI=1S/C35H49F2N5O5Si2/c1-33(2,3)48(7,8)44-22-35(23-45-49(9,10)34(4,5)6)19-31(39-47-35)24-11-13-27(29(36)17-24)28-14-12-25(18-30(28)37)42-21-26(46-32(42)43)20-41-16-15-38-40-41/h11-18,26H,19-23H2,1-10H3/t26-/m0/s1
• InChIKey: DQZVPTJBYRJQHW-SANMLTNESA-N
• XLogP: 8.16
• TPSA: 100.30 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.98
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 10101342) is (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)c(F)c2)=NO1.

What is the InChIKey of (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is DQZVPTJBYRJQHW-SANMLTNESA-N. The full InChI is InChI=1S/C35H49F2N5O5Si2/c1-33(2,3)48(7,8)44-22-35(23-45-49(9,10)34(4,5)6)19-31(39-47-35)24-11-13-27(29(36)17-24)28-14-12-25(18-30(28)37)42-21-26(46-32(42)43)20-41-16-15-38-40-41/h11-18,26H,19-23H2,1-10H3/t26-/m0/s1.

What are the key properties of (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 713.98 g/mol, XLogP of 8.16, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[4-[4-[5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10101342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).