9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate

C25H22N2O4 — CID 168737367

About 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate

9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 168737367) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate
• PubChem CID: 168737367
• Molecular Formula: C25H22N2O4
• Molecular Weight: 414.46 g/mol
• Exact Mass: 414.16
• IUPAC Name: 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate
• SMILES: O=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1CCc1cccnc1
• InChI: InChI=1S/C25H22N2O4/c28-24-23(12-11-17-6-5-13-26-14-17)27(16-31-24)25(29)30-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-10,13-14,22-23H,11-12,15-16H2/t23-/m0/s1
• InChIKey: UFTLOFKGWDKIIH-QHCPKHFHSA-N
• XLogP: 4.15
• TPSA: 68.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.46
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate (CID 168737367) is 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate.

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

The canonical SMILES for 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate is O=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1CCc1cccnc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate?

The InChIKey is UFTLOFKGWDKIIH-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H22N2O4/c28-24-23(12-11-17-6-5-13-26-14-17)27(16-31-24)25(29)30-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-10,13-14,22-23H,11-12,15-16H2/t23-/m0/s1.

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

9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 4.15, 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)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 168737367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).