9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

C25H20ClNO5 — CID 146517878

About 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 146517878) has the molecular formula C25H20ClNO5 and a molecular weight of 449.89 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
• PubChem CID: 146517878
• Molecular Formula: C25H20ClNO5
• Molecular Weight: 449.89 g/mol
• Exact Mass: 449.10
• IUPAC Name: 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
• SMILES: O=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1COc1ccccc1Cl
• InChI: InChI=1S/C25H20ClNO5/c26-21-11-5-6-12-23(21)30-14-22-24(28)32-15-27(22)25(29)31-13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-12,20,22H,13-15H2/t22-/m0/s1
• InChIKey: MHAKVLSCLJSPKL-QFIPXVFZSA-N
• XLogP: 4.85
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.89
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?

The IUPAC name of 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 146517878) is 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is O=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1COc1ccccc1Cl.

What is the InChIKey of 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?

The InChIKey is MHAKVLSCLJSPKL-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H20ClNO5/c26-21-11-5-6-12-23(21)30-14-22-24(28)32-15-27(22)25(29)31-13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-12,20,22H,13-15H2/t22-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?

9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 449.89 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 146517878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).