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

C26H23NO5 — CID 102109507

IUPAC9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1COCc1ccccc1
InChIInChI=1S/C26H23NO5/c28-25-24(16-30-14-18-8-2-1-3-9-18)27(17-32-25)26(29)31-15-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2/t24-/m0/s1
InChIKeyVFZVLECKKCTJTK-DEOSSOPVSA-N
MW429.47 g/mol
LogP4.34
Rot. Bonds6

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

9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 102109507) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID102109507
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1COCc1ccccc1
InChIInChI=1S/C26H23NO5/c28-25-24(16-30-14-18-8-2-1-3-9-18)27(17-32-25)26(29)31-15-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2/t24-/m0/s1
InChIKeyVFZVLECKKCTJTK-DEOSSOPVSA-N
XLogP4.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl (4S)-4-(ethoxymethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 121333131
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
CID 102109508
9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 146517677
9H-fluoren-9-ylmethyl (4S)-4-(isocyanomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 25189352
9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 146517878
9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 165022358
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate
CID 168737367
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
CID 163652845
9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 165003020
9H-fluoren-9-ylmethyl (4R)-4-[(tert-butyldisulfanyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 89396784
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
benzyl (4R)-5-oxo-4-(sulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 101064250

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate (CID 102109507) is 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate is O=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1COCc1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is VFZVLECKKCTJTK-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23NO5/c28-25-24(16-30-14-18-8-2-1-3-9-18)27(17-32-25)26(29)31-15-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2/t24-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate?
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 429.47 g/mol, XLogP of 4.34, 6 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-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 102109507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).