(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione

C10H8FNO3 — CID 138393631

IUPAC(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
SMILESO=C1N[C@@H](Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)5-8-9(13)15-10(14)12-8/h1-4,8H,5H2,(H,12,14)/t8-/m0/s1
InChIKeyAQPGFQSDVCECCV-QMMMGPOBSA-N
MW209.18 g/mol
LogP1.00
Rot. Bonds2

About (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione

(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione (PubChem CID 138393631) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
PubChem CID138393631
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
SMILESO=C1N[C@@H](Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)5-8-9(13)15-10(14)12-8/h1-4,8H,5H2,(H,12,14)/t8-/m0/s1
InChIKeyAQPGFQSDVCECCV-QMMMGPOBSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione 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

(4R)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393632
4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115062497
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 137332938
2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82389065
(4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione
CID 58281045
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
(3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one
CID 135364827
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
4-(aminomethyl)-1,3-oxazolidine-2,5-dione
CID 89102587
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione (CID 138393631) is (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione is O=C1N[C@@H](Cc2cccc(F)c2)C(=O)O1.
What is the InChIKey of (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is AQPGFQSDVCECCV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)5-8-9(13)15-10(14)12-8/h1-4,8H,5H2,(H,12,14)/t8-/m0/s1.
What are the key properties of (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 209.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 138393631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).