(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one

C10H10ClNO2 — CID 95866457

IUPAC(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@]1(c2ccccc2Cl)COC(=O)N1
InChIInChI=1S/C10H10ClNO2/c1-10(6-14-9(13)12-10)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyQASNVYBRJSULCW-SNVBAGLBSA-N
MW211.65 g/mol
LogP2.30
Rot. Bonds1

About (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one

(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 95866457) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID95866457
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@]1(c2ccccc2Cl)COC(=O)N1
InChIInChI=1S/C10H10ClNO2/c1-10(6-14-9(13)12-10)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyQASNVYBRJSULCW-SNVBAGLBSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-3,5,5-trimethylmorpholine
CID 70166373
(2S)-2-(2-chlorophenyl)-2-methyloxirane
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4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid
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4-methyl-4-phenyl-1,3-oxazinan-2-one
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4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458788
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(4S)-4-(2,6-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187548
(4S)-4-(3-chloro-2-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188426
2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine
CID 115045643
2-(2-chlorophenyl)-2-ethyloxirane
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5-methyl-5-(trifluoromethyl)-1,4-dihydro-3,1-benzoxazepin-2-one
CID 59947983
(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
CID 124509752

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one (CID 95866457) is (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one is C[C@]1(c2ccccc2Cl)COC(=O)N1.
What is the InChIKey of (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is QASNVYBRJSULCW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-10(6-14-9(13)12-10)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one?
(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 95866457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).