1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone

C13H17NO3 — CID 177490674

IUPAC1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone
SMILESCOc1ccccc1[C@@H]1C[C@H](C)N(C(C)=O)O1
InChIInChI=1S/C13H17NO3/c1-9-8-13(17-14(9)10(2)15)11-6-4-5-7-12(11)16-3/h4-7,9,13H,8H2,1-3H3/t9-,13-/m0/s1
InChIKeyHTCUOYNECCIOAD-ZANVPECISA-N
MW235.28 g/mol
LogP2.31
Rot. Bonds2

About 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone

1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone (PubChem CID 177490674) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone
PubChem CID177490674
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone
SMILESCOc1ccccc1[C@@H]1C[C@H](C)N(C(C)=O)O1
InChIInChI=1S/C13H17NO3/c1-9-8-13(17-14(9)10(2)15)11-6-4-5-7-12(11)16-3/h4-7,9,13H,8H2,1-3H3/t9-,13-/m0/s1
InChIKeyHTCUOYNECCIOAD-ZANVPECISA-N
XLogP2.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
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(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
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4-(2-methoxyphenyl)oxolane-2-carboxylic acid
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3-(2-methoxyphenyl)cyclopentan-1-ol
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(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one
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1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone?
The IUPAC name of 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone (CID 177490674) is 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone?
The canonical SMILES for 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone is COc1ccccc1[C@@H]1C[C@H](C)N(C(C)=O)O1.
What is the InChIKey of 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone?
The InChIKey is HTCUOYNECCIOAD-ZANVPECISA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-8-13(17-14(9)10(2)15)11-6-4-5-7-12(11)16-3/h4-7,9,13H,8H2,1-3H3/t9-,13-/m0/s1.
What are the key properties of 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone?
1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone has a molecular weight of 235.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone is sourced from PubChem (CID 177490674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).