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

C25H22N2O4 — CID 168737367

IUPAC9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1CCc1cccnc1
InChIInChI=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
InChIKeyUFTLOFKGWDKIIH-QHCPKHFHSA-N
MW414.46 g/mol
LogP4.15
Rot. Bonds5

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 Name9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID168737367
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1CCc1cccnc1
InChIInChI=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
InChIKeyUFTLOFKGWDKIIH-QHCPKHFHSA-N
XLogP4.15
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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).