(4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one

C10H10ClNO2 — CID 101012786

IUPAC(4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H]([C@@H](Cl)c2ccccc2)CO1
InChIInChI=1S/C10H10ClNO2/c11-9(7-4-2-1-3-5-7)8-6-14-10(13)12-8/h1-5,8-9H,6H2,(H,12,13)/t8-,9+/m1/s1
InChIKeyKUQDLRFKLFIQQE-BDAKNGLRSA-N
MW211.65 g/mol
LogP2.07
Rot. Bonds2

About (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one

(4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 101012786) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID101012786
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H]([C@@H](Cl)c2ccccc2)CO1
InChIInChI=1S/C10H10ClNO2/c11-9(7-4-2-1-3-5-7)8-6-14-10(13)12-8/h1-5,8-9H,6H2,(H,12,13)/t8-,9+/m1/s1
InChIKeyKUQDLRFKLFIQQE-BDAKNGLRSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
(R)-4-Benzyl-2-oxazolidinone
CID 2734969
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
(S)-4-Benzyl-2-oxazolidinone
CID 736225
(4R)-4-(Diphenylmethyl)-1,3-oxazolidin-2-one
CID 9837924
(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
CID 10921652
(R)-(+)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
CID 11229494
1,1-Dimethylethyl N-((1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl)carbamate
CID 7146645
4-Phenyloxazolidin-2-one
CID 349728
2-Oxazolidinone, 5-(phenylmethyl)-
CID 3039271
2-Oxazolidinone, 5-((2-chlorophenyl)methyl)-
CID 3046889
2-Oxazolidinone, 5-((4-chlorophenyl)methyl)-
CID 3046890

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one (CID 101012786) is (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one is O=C1N[C@@H]([C@@H](Cl)c2ccccc2)CO1.
What is the InChIKey of (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KUQDLRFKLFIQQE-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-9(7-4-2-1-3-5-7)8-6-14-10(13)12-8/h1-5,8-9H,6H2,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one?
(4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(S)-chloro(phenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101012786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).