(5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C22H23FN6O3Si — CID 25049886

About (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 25049886) has the molecular formula C22H23FN6O3Si and a molecular weight of 466.55 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 25049886
• Molecular Formula: C22H23FN6O3Si
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.16
• IUPAC Name: (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: C[Si](C)(C)c1cc(-c2ccn(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)c2)no1
• InChI: InChI=1S/C22H23FN6O3Si/c1-33(2,3)21-11-19(25-32-21)15-6-8-27(12-15)20-5-4-16(10-18(20)23)29-14-17(31-22(29)30)13-28-9-7-24-26-28/h4-12,17H,13-14H2,1-3H3/t17-/m0/s1
• InChIKey: OIAZPIHBACMSRZ-KRWDZBQOSA-N
• XLogP: 3.43
• TPSA: 91.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 25049886) is (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is C[Si](C)(C)c1cc(-c2ccn(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)c2)no1.

What is the InChIKey of (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is OIAZPIHBACMSRZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23FN6O3Si/c1-33(2,3)21-11-19(25-32-21)15-6-8-27(12-15)20-5-4-16(10-18(20)23)29-14-17(31-22(29)30)13-28-9-7-24-26-28/h4-12,17H,13-14H2,1-3H3/t17-/m0/s1.

What are the key properties of (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 466.55 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 25049886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).