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

C25H20BrNO4 — CID 165022358

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

9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 165022358) has the molecular formula C25H20BrNO4 and a molecular weight of 478.34 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
• PubChem CID: 165022358
• Molecular Formula: C25H20BrNO4
• Molecular Weight: 478.34 g/mol
• Exact Mass: 477.06
• IUPAC Name: 9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
• SMILES: O=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1Cc1cccc(Br)c1
• InChI: InChI=1S/C25H20BrNO4/c26-17-7-5-6-16(12-17)13-23-24(28)31-15-27(23)25(29)30-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13-15H2
• InChIKey: LIXYKDWQWLYUSD-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.34
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 165022358) is 9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

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

The canonical SMILES for 9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is O=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1Cc1cccc(Br)c1.

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

The InChIKey is LIXYKDWQWLYUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO4/c26-17-7-5-6-16(12-17)13-23-24(28)31-15-27(23)25(29)30-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13-15H2.

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

9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 478.34 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 165022358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).