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

C25H20FNO4 — CID 165003020

IUPAC9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1Cc1ccccc1F
InChIInChI=1S/C25H20FNO4/c26-22-12-6-1-7-16(22)13-23-24(28)31-15-27(23)25(29)30-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h1-12,21,23H,13-15H2
InChIKeyINQPIFZVYCPANV-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.50
Rot. Bonds4

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

9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 165003020) has the molecular formula C25H20FNO4 and a molecular weight of 417.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID165003020
Molecular FormulaC25H20FNO4
Molecular Weight417.44 g/mol
Exact Mass417.14
IUPAC Name9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1Cc1ccccc1F
InChIInChI=1S/C25H20FNO4/c26-22-12-6-1-7-16(22)13-23-24(28)31-15-27(23)25(29)30-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h1-12,21,23H,13-15H2
InChIKeyINQPIFZVYCPANV-UHFFFAOYSA-N
XLogP4.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl (4S)-4-(ethoxymethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 121333131
9H-fluoren-9-ylmethyl (4S)-4-(isocyanomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 25189352
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
CID 163652845
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-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 102109507
9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 146517878
9H-fluoren-9-ylmethyl (4R)-4-[(tert-butyldisulfanyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 89396784
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)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
CID 102109508
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-[(1-prop-2-enoxycarbonylpiperidin-4-yl)methyl]-1,3-oxazolidine-3-carboxylate
CID 169024984
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 165003020) is 9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is O=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1Cc1ccccc1F.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is INQPIFZVYCPANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4/c26-22-12-6-1-7-16(22)13-23-24(28)31-15-27(23)25(29)30-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h1-12,21,23H,13-15H2.
What are the key properties of 9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
9H-fluoren-9-ylmethyl 4-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 417.44 g/mol, XLogP of 4.50, 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-[(2-fluorophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 165003020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).