methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate

C12H12ClNO4 — CID 122373868

IUPACmethyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)C[C@H]1COC(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO4/c1-17-11(15)6-10-7-18-12(16)14(10)9-4-2-3-8(13)5-9/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKeyYCUNSQXOQPIAEL-JTQLQIEISA-N
MW269.68 g/mol
LogP2.23
Rot. Bonds3

About methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate

methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate (PubChem CID 122373868) has the molecular formula C12H12ClNO4 and a molecular weight of 269.68 g/mol. Its IUPAC name is methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate
PubChem CID122373868
Molecular FormulaC12H12ClNO4
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Namemethyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)C[C@H]1COC(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO4/c1-17-11(15)6-10-7-18-12(16)14(10)9-4-2-3-8(13)5-9/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKeyYCUNSQXOQPIAEL-JTQLQIEISA-N
XLogP2.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[3-(3-chlorophenyl)-2-oxo-1,3-oxazinan-5-yl]acetic acid
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methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate
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3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one
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methyl 2-[(3S)-4-(3-chlorobenzoyl)thiomorpholin-3-yl]acetate
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4-(2-oxo-5-phenylpentyl)-3-phenyl-1,3-oxazolidin-2-one
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(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl 2-methylprop-2-enoate
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methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate
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N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110649460
methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate
CID 6990889

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate (CID 122373868) is methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate is COC(=O)C[C@H]1COC(=O)N1c1cccc(Cl)c1.
What is the InChIKey of methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate?
The InChIKey is YCUNSQXOQPIAEL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12ClNO4/c1-17-11(15)6-10-7-18-12(16)14(10)9-4-2-3-8(13)5-9/h2-5,10H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate?
methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate has a molecular weight of 269.68 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 122373868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).