(5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one

C25H24FNO3 — CID 89269703

IUPAC(5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1CCF
InChIInChI=1S/C25H24FNO3/c26-16-17-27-18-23(30-24(27)28)19-29-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2/t23-/m0/s1
InChIKeyDHGCBRYMKKSXHJ-QHCPKHFHSA-N
MW405.47 g/mol
LogP4.79
Rot. Bonds8

About (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one

(5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 89269703) has the molecular formula C25H24FNO3 and a molecular weight of 405.47 g/mol. Its IUPAC name is (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one
PubChem CID89269703
Molecular FormulaC25H24FNO3
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name(5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1CCF
InChIInChI=1S/C25H24FNO3/c26-16-17-27-18-23(30-24(27)28)19-29-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2/t23-/m0/s1
InChIKeyDHGCBRYMKKSXHJ-QHCPKHFHSA-N
XLogP4.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one (CID 89269703) is (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1CCF.
What is the InChIKey of (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is DHGCBRYMKKSXHJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24FNO3/c26-16-17-27-18-23(30-24(27)28)19-29-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2/t23-/m0/s1.
What are the key properties of (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
(5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 405.47 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-fluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 89269703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).