5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one

C29H35FN4O7Si — CID 131727896

About 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one

5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 131727896) has the molecular formula C29H35FN4O7Si and a molecular weight of 598.70 g/mol. Its IUPAC name is 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 131727896
• Molecular Formula: C29H35FN4O7Si
• Molecular Weight: 598.70 g/mol
• Exact Mass: 598.23
• IUPAC Name: 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[SiH2]OC(C)(C)C1CN(c2ccc(-c3ccc(COC4COc5nc([N+](=O)[O-])cn5C4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C29H35FN4O7Si/c1-28(2,3)42-41-29(4,5)24-14-33(27(35)40-24)20-10-11-22(23(30)12-20)19-8-6-18(7-9-19)16-38-21-13-32-15-25(34(36)37)31-26(32)39-17-21/h6-12,15,21,24H,13-14,16-17,42H2,1-5H3
• InChIKey: RXNOYMJHIBGDTM-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 118.19 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.70
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one (CID 131727896) is 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one is CC(C)(C)[SiH2]OC(C)(C)C1CN(c2ccc(-c3ccc(COC4COc5nc([N+](=O)[O-])cn5C4)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?

The InChIKey is RXNOYMJHIBGDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O7Si/c1-28(2,3)42-41-29(4,5)24-14-33(27(35)40-24)20-10-11-22(23(30)12-20)19-8-6-18(7-9-19)16-38-21-13-32-15-25(34(36)37)31-26(32)39-17-21/h6-12,15,21,24H,13-14,16-17,42H2,1-5H3.

What are the key properties of 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?

5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 598.70 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 131727896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).