(4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one

C11H12ClNO2 — CID 101150857

IUPAC(4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N[C@@H]1[C@@H](Cl)c1ccccc1
InChIInChI=1S/C11H12ClNO2/c1-7-10(13-11(14)15-7)9(12)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,13,14)/t7-,9+,10+/m1/s1
InChIKeyHXTOJYZLELICFN-JEZHCXPESA-N
MW225.68 g/mol
LogP2.46
Rot. Bonds2

About (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one

(4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 101150857) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID101150857
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N[C@@H]1[C@@H](Cl)c1ccccc1
InChIInChI=1S/C11H12ClNO2/c1-7-10(13-11(14)15-7)9(12)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,13,14)/t7-,9+,10+/m1/s1
InChIKeyHXTOJYZLELICFN-JEZHCXPESA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (CID 101150857) is (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@H]1OC(=O)N[C@@H]1[C@@H](Cl)c1ccccc1.
What is the InChIKey of (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is HXTOJYZLELICFN-JEZHCXPESA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-7-10(13-11(14)15-7)9(12)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,13,14)/t7-,9+,10+/m1/s1.
What are the key properties of (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
(4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101150857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).