(2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one

C10H8Cl3NO2 — CID 95561028

IUPAC(2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one
SMILESO=C1N[C@@H](c2ccccc2)O[C@@H]1C(Cl)(Cl)Cl
InChIInChI=1S/C10H8Cl3NO2/c11-10(12,13)7-8(15)14-9(16-7)6-4-2-1-3-5-6/h1-5,7,9H,(H,14,15)/t7-,9+/m0/s1
InChIKeyPDYMIJXOWSDEJC-IONNQARKSA-N
MW280.54 g/mol
LogP2.57
Rot. Bonds1

About (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one

(2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one (PubChem CID 95561028) has the molecular formula C10H8Cl3NO2 and a molecular weight of 280.54 g/mol. Its IUPAC name is (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one
PubChem CID95561028
Molecular FormulaC10H8Cl3NO2
Molecular Weight280.54 g/mol
Exact Mass278.96
IUPAC Name(2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one
SMILESO=C1N[C@@H](c2ccccc2)O[C@@H]1C(Cl)(Cl)Cl
InChIInChI=1S/C10H8Cl3NO2/c11-10(12,13)7-8(15)14-9(16-7)6-4-2-1-3-5-6/h1-5,7,9H,(H,14,15)/t7-,9+/m0/s1
InChIKeyPDYMIJXOWSDEJC-IONNQARKSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one 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

(2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one
CID 16750773
(3S,6S)-3-tert-butyl-6-phenylpiperazine-2,5-dione
CID 131922882
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one
CID 69328798
2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
CID 102271597
(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 22214859
3-phenyloxaziridine
CID 18523120
(3S)-3-phenyloxaziridine
CID 143593965
7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 57138383
(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one
CID 101130998
4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one
CID 2754378
(4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one
CID 110273223

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one?
The IUPAC name of (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one (CID 95561028) is (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one.
What is the SMILES notation for (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one?
The canonical SMILES for (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one is O=C1N[C@@H](c2ccccc2)O[C@@H]1C(Cl)(Cl)Cl.
What is the InChIKey of (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one?
The InChIKey is PDYMIJXOWSDEJC-IONNQARKSA-N. The full InChI is InChI=1S/C10H8Cl3NO2/c11-10(12,13)7-8(15)14-9(16-7)6-4-2-1-3-5-6/h1-5,7,9H,(H,14,15)/t7-,9+/m0/s1.
What are the key properties of (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one?
(2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one has a molecular weight of 280.54 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one is sourced from PubChem (CID 95561028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).